| Properties | Image |
|---|
| MNX_ID | MNXM217115 |
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| reference | slm:000472086 |
| formula | C49H87O13P2 |
| global charge | -3 |
| mol weight | 946.17 |
| InChIKey | SNIMIFKOSNPHDG-AIJNINIMSA-K |
| InChI | InChI=1S/C49H90O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-33-36-39-48(51)58-43-47(44-61-64(56,57)60-42-46(50)41-59-63(53,54)55)62-49(52)40-37-34-31-28-25-26-29-32-35-38-45(2)3/h8-9,11-12,14-15,17-18,45-47,50H,4-7,10,13,16,19-44H2,1-3H3,(H,56,57)(H2,53,54,55)/p-3/b9-8-,12-11-,15-14-,18-17-/t46-,47+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H90O13P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-33-36-39-48(51)58-43-47(44-61-64(56,57)60-42-46(50)41-59-63(53,54)55)62-49(52)40-37-34-31-28-25-26-29-32-35-38-45(2)3/h8-9,11-12,14-15,17-18,45-47,50H,4-7,10,13,16,19-44H2,1-3H3,(H,56,57)(H2,53,54,55)/b9-8-,12-11-,15-14-,18-17-/t46-,47+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][C:48](=[O:51])[O:58][CH2:43][C@H:47]([CH2:44][O:61][P:64]([OH:56])(=[O:57])[O:60][CH2:42][C@H:46]([CH2:41][O:59][P:63]([OH:53])([OH:54])=[O:55])[OH:50])[O:62][C:49]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:45]([CH3:2])[CH3:3])=[O:52] |
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