| Properties | Image |
|---|
| MNX_ID | MNXM29512 |
 |
| reference | lipidmapsM:LMSP00000001 |
| formula | C32H63NO5S |
| global charge | 0 |
| mol weight | 573.925 |
| InChIKey | ZDDRTKNXOLODNW-JHRQRACZSA-N |
| InChI | InChI=1S/C32H63NO5S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(34)30(29-39(36,37)38)33-32(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34H,3-24,26,28-29H2,1-2H3,(H,33,35)(H,36,37,38)/b27-25+/t30-,31+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CS(=O)(=O)O)NC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C32H63NO5S/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(34)30(29-39(36,37)38)33-32(35)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34H,3-24,26,28-29H2,1-2H3,(H,33,35)(H,36,37,38)/b27-25+/t30-,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23]/[CH:25]=[CH:27]/[C@H:31]([C@H:30]([CH2:29][S:39]([OH:36])(=[O:37])=[O:38])[N:33]=[C:32]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:35])[OH:34] |
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