| Properties | Image |
|---|
| MNX_ID | MNXM150437 |
 |
| reference | lipidmapsM:LMFA07020003 |
| formula | C37H66O7S |
| global charge | 0 |
| mol weight | 654.995 |
| InChIKey | QNNUVKRGBFRFBP-NDPCNFGJSA-N |
| InChI | InChI=1S/C37H66O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-36(38)44-35(3)29-26-24-25-28-34(2)33-37(39)43-31-32-45(40,41)42/h17-18,21-22,33,35H,4-16,19-20,23-32H2,1-3H3,(H,40,41,42)/b18-17-,22-21-,34-33-/t35-/m1/s1 |
| SMILES | CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O[C@H](C)CCCCC/C(C)=C\C(=O)OCCS(=O)(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C37H66O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-36(38)44-35(3)29-26-24-25-28-34(2)33-37(39)43-31-32-45(40,41)42/h17-18,21-22,33,35H,4-16,19-20,23-32H2,1-3H3,(H,40,41,42)/b18-17-,22-21-,34-33-/t35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:27][CH2:30][C:36](=[O:38])[O:44][C@H:35]([CH3:3])[CH2:29][CH2:26][CH2:24][CH2:25][CH2:28]/[C:34]([CH3:2])=[CH:33]\[C:37](=[O:39])[O:43][CH2:31][CH2:32][S:45]([OH:40])(=[O:41])=[O:42] |
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