| Properties | Image |
|---|
| MNX_ID | MNXM32643 |
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| reference | slm:000005888 |
| formula | C50H93NO10P |
| global charge | -1 |
| mol weight | 899.265 |
| InChIKey | AVAZXVGXHIJYLL-UELXFMLQSA-M |
| InChI | InChI=1S/C50H94NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2/h12,14,18,27,46-47H,3-11,13,15-17,19-26,28-45,51H2,1-2H3,(H,54,55)(H,56,57)/p-1/b14-12-,27-18-/t46-,47+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C50H94NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2/h12,14,18,27,46-47H,3-11,13,15-17,19-26,28-45,51H2,1-2H3,(H,54,55)(H,56,57)/b14-12-,27-18-/t46-,47+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:48](=[O:52])[O:58][CH2:43][C@H:46]([CH2:44][O:59][P:62]([OH:56])(=[O:57])[O:60][CH2:45][C@@H:47]([C:50](=[O:54])[OH:55])[NH2:51])[O:61][C:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30]/[CH:27]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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