| Properties | Image |
|---|
| MNX_ID | MNXM1112 |
 |
| reference | chebi:53020 |
| formula | C107H182N2O72P2 |
| global charge | 0 |
| mol weight | 2710.523 |
| InChIKey | MICPZJKUQZOIEV-UNWWXCMNSA-N |
| InChI | InChI=1S/C107H182N2O72P2/c1-36(2)13-9-14-37(3)15-10-16-38(4)17-11-18-39(5)19-12-20-40(6)21-22-156-182(150,151)181-183(152,153)180-96-57(109-42(8)122)68(133)85(51(31-118)165-96)170-95-56(108-41(7)121)67(132)86(50(30-117)164-95)171-105-84(149)92(177-106-94(73(138)62(127)46(26-113)162-106)179-107-93(72(137)61(126)47(27-114)163-107)178-104-83(148)90(64(129)49(29-116)161-104)176-103-82(147)89(63(128)48(28-115)160-103)174-101-78(143)71(136)60(125)45(25-112)159-101)66(131)55(169-105)35-155-98-81(146)91(175-102-80(145)75(140)88(53(33-120)167-102)173-100-77(142)70(135)59(124)44(24-111)158-100)65(130)54(168-98)34-154-97-79(144)74(139)87(52(32-119)166-97)172-99-76(141)69(134)58(123)43(23-110)157-99/h13,15,17,19,40,43-107,110-120,123-149H,9-12,14,16,18,20-35H2,1-8H3,(H,108,121)(H,109,122)(H,150,151)(H,152,153)/b37-15+,38-17+,39-19+/t40?,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75-,76+,77+,78-,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-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](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]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C107H182N2O72P2/c1-36(2)13-9-14-37(3)15-10-16-38(4)17-11-18-39(5)19-12-20-40(6)21-22-156-182(150,151)181-183(152,153)180-96-57(109-42(8)122)68(133)85(51(31-118)165-96)170-95-56(108-41(7)121)67(132)86(50(30-117)164-95)171-105-84(149)92(177-106-94(73(138)62(127)46(26-113)162-106)179-107-93(72(137)61(126)47(27-114)163-107)178-104-83(148)90(64(129)49(29-116)161-104)176-103-82(147)89(63(128)48(28-115)160-103)174-101-78(143)71(136)60(125)45(25-112)159-101)66(131)55(169-105)35-155-98-81(146)91(175-102-80(145)75(140)88(53(33-120)167-102)173-100-77(142)70(135)59(124)44(24-111)158-100)65(130)54(168-98)34-154-97-79(144)74(139)87(52(32-119)166-97)172-99-76(141)69(134)58(123)43(23-110)157-99/h13,15,17,19,40,43-107,110-120,123-149H,9-12,14,16,18,20-35H2,1-8H3,(H,108,121)(H,109,122)(H,150,151)(H,152,153)/b37-15+,38-17+,39-19+/t40?,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75-,76+,77+,78-,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-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:36]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:37]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:38]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:39]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:40]([CH3:6])[CH2:21][CH2:22][O:156][P:182]([OH:150])(=[O:151])[O:181][P:183]([OH:152])(=[O:153])[O:180][C@@H:96]1[C@H:57]([N:109]=[C:42]([CH3:8])[OH:122])[C@@H:68]([OH:133])[C@H:85]([O:170][C@H:95]2[C@H:56]([N:108]=[C:41]([CH3:7])[OH:121])[C@@H:67]([OH:132])[C@H:86]([O:171][C@H:105]3[C@@H:84]([OH:149])[C@@H:92]([O:177][C@@H:106]4[C@@H:94]([O:179][C@@H:107]5[C@@H:93]([O:178][C@@H:104]6[C@@H:83]([OH:148])[C@@H:90]([O:176][C@@H:103]7[C@H:82]([OH:147])[C@@H:89]([O:174][C@@H:101]8[C@H:78]([OH:143])[C@@H:71]([OH:136])[C@H:60]([OH:125])[C@@H:45]([CH2:25][OH:112])[O:159]8)[C@H:63]([OH:128])[C@@H:48]([CH2:28][OH:115])[O:160]7)[C@H:64]([OH:129])[C@@H:49]([CH2:29][OH:116])[O:161]6)[C@@H:72]([OH:137])[C@H:61]([OH:126])[C@@H:47]([CH2:27][OH:114])[O:163]5)[C@@H:73]([OH:138])[C@H:62]([OH:127])[C@@H:46]([CH2:26][OH:113])[O:162]4)[C@H:66]([OH:131])[C@@H:55]([CH2:35][O:155][C@@H:98]4[C@@H:81]([OH:146])[C@@H:91]([O:175][C@@H:102]5[C@@H:80]([OH:145])[C@@H:75]([OH:140])[C@H:88]([O:173][C@@H:100]6[C@@H:77]([OH:142])[C@@H:70]([OH:135])[C@H:59]([OH:124])[C@@H:44]([CH2:24][OH:111])[O:158]6)[C@@H:53]([CH2:33][OH:120])[O:167]5)[C@H:65]([OH:130])[C@@H:54]([CH2:34][O:154][C@@H:97]5[C@@H:79]([OH:144])[C@@H:74]([OH:139])[C@H:87]([O:172][C@@H:99]6[C@@H:76]([OH:141])[C@@H:69]([OH:134])[C@H:58]([OH:123])[C@@H:43]([CH2:23][OH:110])[O:157]6)[C@@H:52]([CH2:32][OH:119])[O:166]5)[O:168]4)[O:169]3)[C@@H:50]([CH2:30][OH:117])[O:164]2)[C@@H:51]([CH2:31][OH:118])[O:165]1 |
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