| Properties | Image |
|---|
| MNX_ID | MNXM738100 |
 |
| reference | metacycM:CPD0-2247 |
| formula | C151H261N2O79P4 |
| global charge | -11 |
| mol weight | 3492.58 |
| InChIKey | RHFXRDCPJYKBJQ-IGDUQIBSSA-C |
| InChI | InChI=1S/C151H272N2O79P4/c1-8-14-20-26-32-38-39-45-51-57-63-69-106(172)211-90(67-61-55-49-43-36-30-24-18-12-5)73-108(174)216-134-110(153-104(170)72-89(66-60-54-48-42-35-29-23-17-11-4)210-105(171)68-62-56-50-44-37-31-25-19-13-6)139(207-84-101-114(178)133(215-107(173)71-88(161)65-59-53-47-41-34-28-22-16-10-3)109(140(213-101)232-236(203,204)205)152-103(169)70-87(160)64-58-52-46-40-33-27-21-15-9-2)214-102(132(134)229-233(194,195)196)85-208-149(146(188)189)76-99(225-151(148(192)193)75-98(113(177)125(226-151)93(164)78-155)224-150(147(190)191)74-91(162)126(129(228-150)95(166)80-157)218-142-120(184)115(179)111(175)86(7)209-142)131(130(227-149)96(167)81-158)221-144-122(186)135(137(230-234(197,198)199)127(219-144)94(165)79-156)223-145-123(187)136(222-143-121(185)116(180)112(176)100(82-159)212-143)138(231-235(200,201)202)128(220-145)97(168)83-206-141-119(183)117(181)118(182)124(217-141)92(163)77-154/h86-102,109-145,154-168,175-187H,8-85H2,1-7H3,(H,152,169)(H,153,170)(H,188,189)(H,190,191)(H,192,193)(H2,194,195,196)(H2,197,198,199)(H2,200,201,202)(H2,203,204,205)/p-11/t86-,87+,88+,89+,90+,91+,92-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,109+,110+,111-,112+,113+,114+,115+,116-,117-,118-,119-,120+,121+,122-,123-,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144+,145-,149+,150+,151+/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O[C@]4(C(=O)[O-])C[C@@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H]([C@H](O)CO)O4)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O[C@H]3O[C@H]([C@H](O)CO)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@@H]4O[C@H]([C@H](O)CO[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]([C@H](O)CO)O2)[C@H]1OP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C151H272N2O79P4/c1-8-14-20-26-32-38-39-45-51-57-63-69-106(172)211-90(67-61-55-49-43-36-30-24-18-12-5)73-108(174)216-134-110(153-104(170)72-89(66-60-54-48-42-35-29-23-17-11-4)210-105(171)68-62-56-50-44-37-31-25-19-13-6)139(207-84-101-114(178)133(215-107(173)71-88(161)65-59-53-47-41-34-28-22-16-10-3)109(140(213-101)232-236(203,204)205)152-103(169)70-87(160)64-58-52-46-40-33-27-21-15-9-2)214-102(132(134)229-233(194,195)196)85-208-149(146(188)189)76-99(225-151(148(192)193)75-98(113(177)125(226-151)93(164)78-155)224-150(147(190)191)74-91(162)126(129(228-150)95(166)80-157)218-142-120(184)115(179)111(175)86(7)209-142)131(130(227-149)96(167)81-158)221-144-122(186)135(137(230-234(197,198)199)127(219-144)94(165)79-156)223-145-123(187)136(222-143-121(185)116(180)112(176)100(82-159)212-143)138(231-235(200,201)202)128(220-145)97(168)83-206-141-119(183)117(181)118(182)124(217-141)92(163)77-154/h86-102,109-145,154-168,175-187H,8-85H2,1-7H3,(H,152,169)(H,153,170)(H,188,189)(H,190,191)(H,192,193)(H2,194,195,196)(H2,197,198,199)(H2,200,201,202)(H2,203,204,205)/t86-,87+,88+,89+,90+,91+,92-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,109+,110+,111-,112+,113+,114+,115+,116-,117-,118-,119-,120+,121+,122-,123-,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141-,142-,143-,144+,145-,149+,150+,151+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:14][CH2:20][CH2:26][CH2:32][CH2:38][CH2:39][CH2:45][CH2:51][CH2:57][CH2:63][CH2:69][C:106](=[O:172])[O:211][C@H:90]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:5])[CH2:73][C:108](=[O:174])[O:216][C@@H:134]1[C@@H:110]([N:153]=[C:104]([CH2:72][C@@H:89]([CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:35][CH2:29][CH2:23][CH2:17][CH2:11][CH3:4])[O:210][C:105]([CH2:68][CH2:62][CH2:56][CH2:50][CH2:44][CH2:37][CH2:31][CH2:25][CH2:19][CH2:13][CH3:6])=[O:171])[OH:170])[C@H:139]([O:207][CH2:84][C@@H:101]2[C@@H:114]([OH:178])[C@H:133]([O:215][C:107]([CH2:71][C@@H:88]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:3])[OH:161])=[O:173])[C@@H:109]([N:152]=[C:103]([CH2:70][C@@H:87]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:2])[OH:160])[OH:169])[C@@H:140]([O:232][P:236]([OH:203])([OH:204])=[O:205])[O:213]2)[O:214][C@H:102]([CH2:85][O:208][C@:149]2([C:146](=[O:188])[OH:189])[CH2:76][C@@H:99]([O:225][C@:151]3([C:148](=[O:192])[OH:193])[CH2:75][C@@H:98]([O:224][C@:150]4([C:147](=[O:190])[OH:191])[CH2:74][C@@H:91]([OH:162])[C@@H:126]([O:218][C@H:142]5[C@H:120]([OH:184])[C@H:115]([OH:179])[C@@H:111]([OH:175])[C@H:86]([CH3:7])[O:209]5)[C@@H:129]([C@@H:95]([CH2:80][OH:157])[OH:166])[O:228]4)[C@@H:113]([OH:177])[C@@H:125]([C@@H:93]([CH2:78][OH:155])[OH:164])[O:226]3)[C@@H:131]([O:221][C@@H:144]3[C@@H:122]([OH:186])[C@@H:135]([O:223][C@H:145]4[C@@H:123]([OH:187])[C@@H:136]([O:222][C@H:143]5[C@H:121]([OH:185])[C@@H:116]([OH:180])[C@H:112]([OH:176])[C@@H:100]([CH2:82][OH:159])[O:212]5)[C@H:138]([O:231][P:235]([OH:200])([OH:201])=[O:202])[C@@H:128]([C@@H:97]([CH2:83][O:206][C@@H:141]5[C@@H:119]([OH:183])[C@@H:117]([OH:181])[C@H:118]([OH:182])[C@@H:124]([C@H:92]([CH2:77][OH:154])[OH:163])[O:217]5)[OH:168])[O:220]4)[C@H:137]([O:230][P:234]([OH:197])([OH:198])=[O:199])[C@@H:127]([C@@H:94]([CH2:79][OH:156])[OH:165])[O:219]3)[C@@H:130]([C@@H:96]([CH2:81][OH:158])[OH:167])[O:227]2)[C@H:132]1[O:229][P:233]([OH:194])([OH:195])=[O:196] |
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