| Properties | Image |
|---|
| MNX_ID | MNXM1050557 |
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| reference | slm:000742957 |
| formula | C38H67N3O15P2 |
| global charge | -2 |
| mol weight | 867.908 |
| InChIKey | SABNHVWTANAGLI-LSENROCFSA-L |
| InChI | InChI=1S/C38H69N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34(43)54-31(27-51-30(2)42)28-52-57(47,48)56-58(49,50)53-29-32-35(44)36(45)37(55-32)41-26-25-33(39)40-38(41)46/h25-26,31-32,35-37,44-45H,3-24,27-29H2,1-2H3,(H,47,48)(H,49,50)(H2,39,40,46)/p-2/t31-,32-,35-,36-,37-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C38H69N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34(43)54-31(27-51-30(2)42)28-52-57(47,48)56-58(49,50)53-29-32-35(44)36(45)37(55-32)41-26-25-33(39)40-38(41)46/h25-26,31-32,35-37,44-45H,3-24,27-29H2,1-2H3,(H,47,48)(H,49,50)(H2,39,40,46)/t31-,32-,35-,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:34](=[O:43])[O:54][C@H:31]([CH2:27][O:51][C:30]([CH3:2])=[O:42])[CH2:28][O:52][P:57]([OH:47])(=[O:48])[O:56][P:58]([OH:49])(=[O:50])[O:53][CH2:29][C@@H:32]1[C@@H:35]([OH:44])[C@@H:36]([OH:45])[C@H:37]([N:41]2[CH:26]=[CH:25][C:33](=[NH:39])[N:40]=[C:38]2[OH:46])[O:55]1 |
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