| Properties | Image |
|---|
| MNX_ID | MNXM343628 |
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| reference | slm:000489976 |
| formula | C42H71NO10P |
| global charge | -1 |
| mol weight | 781.001 |
| InChIKey | OQFRJORHESEUEB-ZHCPOGHNSA-M |
| InChI | InChI=1S/C42H72NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-41(45)53-38(35-50-40(44)33-4-2)36-51-54(48,49)52-37-39(43)42(46)47/h8-9,11-12,14-15,17-18,20-21,38-39H,3-7,10,13,16,19,22-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,39+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C42H72NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-41(45)53-38(35-50-40(44)33-4-2)36-51-54(48,49)52-37-39(43)42(46)47/h8-9,11-12,14-15,17-18,20-21,38-39H,3-7,10,13,16,19,22-37,43H2,1-2H3,(H,46,47)(H,48,49)/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][C:41](=[O:45])[O:53][C@H:38]([CH2:35][O:50][C:40]([CH2:33][CH2:4][CH3:2])=[O:44])[CH2:36][O:51][P:54]([OH:48])(=[O:49])[O:52][CH2:37][C@@H:39]([C:42](=[O:46])[OH:47])[NH2:43] |
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