| Properties | Image |
|---|
| MNX_ID | MNXM306386 |
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| reference | slm:000442827 |
| formula | C41H69O22P4 |
| global charge | -7 |
| mol weight | 1037.877 |
| InChIKey | LWURWLQWWOPQMN-SAMQFAEASA-G |
| InChI | InChI=1S/C41H76O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-21-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h11,13,15-16,18-19,33,36-41,44-45H,3-10,12,14,17,20-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/b13-11-,16-15-,19-18-/t33-,36+,37+,38-,39+,40-,41-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C41H76O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-21-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h11,13,15-16,18-19,33,36-41,44-45H,3-10,12,14,17,20-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b13-11-,16-15-,19-18-/t33-,36+,37+,38-,39+,40-,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][C:34](=[O:42])[O:57][CH2:31][C@H:33]([CH2:32][O:58][P:67]([OH:55])(=[O:56])[O:63][C@@H:38]1[C@H:36]([OH:44])[C@H:39]([O:60][P:64]([OH:46])([OH:47])=[O:48])[C@@H:41]([O:62][P:66]([OH:52])([OH:53])=[O:54])[C@H:40]([O:61][P:65]([OH:49])([OH:50])=[O:51])[C@H:37]1[OH:45])[O:59][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43] |
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