| Properties | Image |
|---|
| MNX_ID | MNXM185697 |
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| reference | slm:000021094 |
| formula | C44H75O8P |
| global charge | -2 |
| mol weight | 763.05 |
| InChIKey | SCESNLIUIXHUTQ-QVKLMIMCSA-L |
| InChI | InChI=1S/C44H77O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-44(46)52-42(40-51-53(47,48)49)39-50-43(45)37-34-31-29-26-27-30-33-36-41(2)3/h8-9,11-12,14-15,17-18,20-21,41-42H,4-7,10,13,16,19,22-40H2,1-3H3,(H2,47,48,49)/p-2/b9-8-,12-11-,15-14-,18-17-,21-20-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C44H77O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-44(46)52-42(40-51-53(47,48)49)39-50-43(45)37-34-31-29-26-27-30-33-36-41(2)3/h8-9,11-12,14-15,17-18,20-21,41-42H,4-7,10,13,16,19,22-40H2,1-3H3,(H2,47,48,49)/b9-8-,12-11-,15-14-,18-17-,21-20-/t42-/m1/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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:28][CH2:32][CH2:35][CH2:38][C:44](=[O:46])[O:52][C@H:42]([CH2:39][O:50][C:43]([CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])=[O:45])[CH2:40][O:51][P:53]([OH:47])([OH:48])=[O:49] |
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