| Properties | Image |
|---|
| MNX_ID | MNXM151272 |
 |
| reference | chebi:75829 |
| formula | C185H234N70O112P18 |
| global charge | 0 |
| mol weight | 5787.817 |
| InChIKey | BQIIVUMGIAZUPO-YFJDSVODSA-N |
| InChI | InChI=1S/C185H234N70O112P18/c1-73-35-242(181(272)232-163(73)258)127-22-84(103(337-127)46-314-369(279,280)350-79-17-122(331-97(79)40-256)237-11-6-116(186)219-176(237)267)357-376(293,294)327-55-112-93(31-136(346-112)252-69-215-145-159(252)224-172(196)228-168(145)263)364-379(299,300)318-45-102-83(21-126(336-102)241-15-10-120(190)223-180(241)271)354-372(285,286)323-51-108-91(29-134(342-108)250-67-213-143-152(194)203-62-208-157(143)250)363-383(307,308)329-57-114-96(34-139(348-114)255-72-218-148-162(255)227-175(199)231-171(148)266)366-384(309,310)326-54-111-92(30-135(345-111)251-68-214-144-153(195)204-63-209-158(144)251)362-382(305,306)325-53-110-90(28-133(344-110)249-66-212-142-151(193)202-61-207-156(142)249)361-380(301,302)321-49-106-86(24-129(340-106)244-37-75(3)165(260)234-183(244)274)356-374(289,290)320-48-105-85(23-128(339-105)243-36-74(2)164(259)233-182(243)273)355-373(287,288)316-43-100-82(20-125(334-100)240-14-9-119(189)222-179(240)270)353-371(283,284)319-47-104-87(25-130(338-104)245-38-76(4)166(261)235-184(245)275)359-377(295,296)328-56-113-95(33-138(347-113)254-71-217-147-161(254)226-174(198)230-170(147)265)367-385(311,312)330-58-115-94(32-137(349-115)253-70-216-146-160(253)225-173(197)229-169(146)264)365-381(303,304)322-50-107-88(26-131(341-107)246-39-77(5)167(262)236-185(246)276)358-375(291,292)324-52-109-89(27-132(343-109)248-65-211-141-150(192)201-60-206-155(141)248)360-378(297,298)317-44-101-81(19-124(335-101)239-13-8-118(188)221-178(239)269)352-370(281,282)315-42-99-80(18-123(333-99)238-12-7-117(187)220-177(238)268)351-368(277,278)313-41-98-78(257)16-121(332-98)247-64-210-140-149(191)200-59-205-154(140)247/h6-15,35-39,59-72,78-115,121-139,256-257H,16-34,40-58H2,1-5H3,(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H2,186,219,267)(H2,187,220,268)(H2,188,221,269)(H2,189,222,270)(H2,190,223,271)(H2,191,200,205)(H2,192,201,206)(H2,193,202,207)(H2,194,203,208)(H2,195,204,209)(H,232,258,272)(H,233,259,273)(H,234,260,274)(H,235,261,275)(H,236,262,276)(H3,196,224,228,263)(H3,197,225,229,264)(H3,198,226,230,265)(H3,199,227,231,266)/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(C)C(=O)NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=CC(N)=NC4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](N4C=CC(N)=NC4=O)O[C@@H]3CO)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C185H234N70O112P18/c1-73-35-242(181(272)232-163(73)258)127-22-84(103(337-127)46-314-369(279,280)350-79-17-122(331-97(79)40-256)237-11-6-116(186)219-176(237)267)357-376(293,294)327-55-112-93(31-136(346-112)252-69-215-145-159(252)224-172(196)228-168(145)263)364-379(299,300)318-45-102-83(21-126(336-102)241-15-10-120(190)223-180(241)271)354-372(285,286)323-51-108-91(29-134(342-108)250-67-213-143-152(194)203-62-208-157(143)250)363-383(307,308)329-57-114-96(34-139(348-114)255-72-218-148-162(255)227-175(199)231-171(148)266)366-384(309,310)326-54-111-92(30-135(345-111)251-68-214-144-153(195)204-63-209-158(144)251)362-382(305,306)325-53-110-90(28-133(344-110)249-66-212-142-151(193)202-61-207-156(142)249)361-380(301,302)321-49-106-86(24-129(340-106)244-37-75(3)165(260)234-183(244)274)356-374(289,290)320-48-105-85(23-128(339-105)243-36-74(2)164(259)233-182(243)273)355-373(287,288)316-43-100-82(20-125(334-100)240-14-9-119(189)222-179(240)270)353-371(283,284)319-47-104-87(25-130(338-104)245-38-76(4)166(261)235-184(245)275)359-377(295,296)328-56-113-95(33-138(347-113)254-71-217-147-161(254)226-174(198)230-170(147)265)367-385(311,312)330-58-115-94(32-137(349-115)253-70-216-146-160(253)225-173(197)229-169(146)264)365-381(303,304)322-50-107-88(26-131(341-107)246-39-77(5)167(262)236-185(246)276)358-375(291,292)324-52-109-89(27-132(343-109)248-65-211-141-150(192)201-60-206-155(141)248)360-378(297,298)317-44-101-81(19-124(335-101)239-13-8-118(188)221-178(239)269)352-370(281,282)315-42-99-80(18-123(333-99)238-12-7-117(187)220-177(238)268)351-368(277,278)313-41-98-78(257)16-121(332-98)247-64-210-140-149(191)200-59-205-154(140)247/h6-15,35-39,59-72,78-115,121-139,256-257H,16-34,40-58H2,1-5H3,(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H2,186,219,267)(H2,187,220,268)(H2,188,221,269)(H2,189,222,270)(H2,190,223,271)(H2,191,200,205)(H2,192,201,206)(H2,193,202,207)(H2,194,203,208)(H2,195,204,209)(H,232,258,272)(H,233,259,273)(H,234,260,274)(H,235,261,275)(H,236,262,276)(H3,196,224,228,263)(H3,197,225,229,264)(H3,198,226,230,265)(H3,199,227,231,266)/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:73]1=[CH:35][N:242]([C@H:127]2[CH2:22][C@H:84]([O:357][P:376]([OH:293])(=[O:294])[O:327][CH2:55][C@@H:112]3[C@@H:93]([O:364][P:379]([OH:299])(=[O:300])[O:318][CH2:45][C@@H:102]4[C@@H:83]([O:354][P:372]([OH:285])(=[O:286])[O:323][CH2:51][C@@H:108]5[C@@H:91]([O:363][P:383]([OH:307])(=[O:308])[O:329][CH2:57][C@@H:114]6[C@@H:96]([O:366][P:384]([OH:309])(=[O:310])[O:326][CH2:54][C@@H:111]7[C@@H:92]([O:362][P:382]([OH:305])(=[O:306])[O:325][CH2:53][C@@H:110]8[C@@H:90]([O:361][P:380]([OH:301])(=[O:302])[O:321][CH2:49][C@@H:106]9[C@@H:86]([O:356][P:374]([OH:289])(=[O:290])[O:320][CH2:48][C@@H:105]%10[C@@H:85]([O:355][P:373]([OH:287])(=[O:288])[O:316][CH2:43][C@@H:100]%11[C@@H:82]([O:353][P:371]([OH:283])(=[O:284])[O:319][CH2:47][C@@H:104]%12[C@@H:87]([O:359][P:377]([OH:295])(=[O:296])[O:328][CH2:56][C@@H:113]%13[C@@H:95]([O:367][P:385]([OH:311])(=[O:312])[O:330][CH2:58][C@@H:115]%14[C@@H:94]([O:365][P:381]([OH:303])(=[O:304])[O:322][CH2:50][C@@H:107]%15[C@@H:88]([O:358][P:375]([OH:291])(=[O:292])[O:324][CH2:52][C@@H:109]%16[C@@H:89]([O:360][P:378]([OH:297])(=[O:298])[O:317][CH2:44][C@@H:101]%17[C@@H:81]([O:352][P:370]([OH:281])(=[O:282])[O:315][CH2:42][C@@H:99]%18[C@@H:80]([O:351][P:368]([OH:277])(=[O:278])[O:313][CH2:41][C@@H:98]%19[C@@H:78]([OH:257])[CH2:16][C@H:121]([N:247]%20[CH:64]=[N:210][C:140]%21=[C:149]([NH2:191])[N:200]=[CH:59][N:205]=[C:154]%21%20)[O:332]%19)[CH2:18][C@H:123]([N:238]%19[CH:12]=[CH:7][C:117](=[NH:187])[N:220]=[C:177]%19[OH:268])[O:333]%18)[CH2:19][C@H:124]([N:239]%18[CH:13]=[CH:8][C:118](=[NH:188])[N:221]=[C:178]%18[OH:269])[O:335]%17)[CH2:27][C@H:132]([N:248]%17[CH:65]=[N:211][C:141]%18=[C:150]([NH2:192])[N:201]=[CH:60][N:206]=[C:155]%18%17)[O:343]%16)[CH2:26][C@H:131]([N:246]%16[CH:39]=[C:77]([CH3:5])[C:167]([OH:262])=[N:236][C:185]%16=[O:276])[O:341]%15)[CH2:32][C@H:137]([N:253]%15[CH:70]=[N:216][C:146]%16=[C:160]%15[NH:225][C:173](=[NH:197])[N:229]=[C:169]%16[OH:264])[O:349]%14)[CH2:33][C@H:138]([N:254]%14[CH:71]=[N:217][C:147]%15=[C:161]%14[NH:226][C:174](=[NH:198])[N:230]=[C:170]%15[OH:265])[O:347]%13)[CH2:25][C@H:130]([N:245]%13[CH:38]=[C:76]([CH3:4])[C:166]([OH:261])=[N:235][C:184]%13=[O:275])[O:338]%12)[CH2:20][C@H:125]([N:240]%12[CH:14]=[CH:9][C:119](=[NH:189])[N:222]=[C:179]%12[OH:270])[O:334]%11)[CH2:23][C@H:128]([N:243]%11[CH:36]=[C:74]([CH3:2])[C:164]([OH:259])=[N:233][C:182]%11=[O:273])[O:339]%10)[CH2:24][C@H:129]([N:244]%10[CH:37]=[C:75]([CH3:3])[C:165]([OH:260])=[N:234][C:183]%10=[O:274])[O:340]9)[CH2:28][C@H:133]([N:249]9[CH:66]=[N:212][C:142]%10=[C:151]([NH2:193])[N:202]=[CH:61][N:207]=[C:156]%109)[O:344]8)[CH2:30][C@H:135]([N:251]8[CH:68]=[N:214][C:144]9=[C:153]([NH2:195])[N:204]=[CH:63][N:209]=[C:158]98)[O:345]7)[CH2:34][C@H:139]([N:255]7[CH:72]=[N:218][C:148]8=[C:162]7[NH:227][C:175](=[NH:199])[N:231]=[C:171]8[OH:266])[O:348]6)[CH2:29][C@H:134]([N:250]6[CH:67]=[N:213][C:143]7=[C:152]([NH2:194])[N:203]=[CH:62][N:208]=[C:157]76)[O:342]5)[CH2:21][C@H:126]([N:241]5[CH:15]=[CH:10][C:120](=[NH:190])[N:223]=[C:180]5[OH:271])[O:336]4)[CH2:31][C@H:136]([N:252]4[CH:69]=[N:215][C:145]5=[C:159]4[NH:224][C:172](=[NH:196])[N:228]=[C:168]5[OH:263])[O:346]3)[C@@H:103]([CH2:46][O:314][P:369]([OH:279])(=[O:280])[O:350][C@H:79]3[CH2:17][C@H:122]([N:237]4[CH:11]=[CH:6][C:116](=[NH:186])[N:219]=[C:176]4[OH:267])[O:331][C@@H:97]3[CH2:40][OH:256])[O:337]2)[C:181](=[O:272])[N:232]=[C:163]1[OH:258] |
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