| Properties | Image |
|---|
| MNX_ID | MNXM1132090 |
 |
| reference | lipidmapsM:LMST05020051 |
| formula | C26H46O12S3 |
| global charge | 0 |
| mol weight | 646.843 |
| InChIKey | KTUJXITZABTSEN-DVOUHLLHSA-N |
| InChI | InChI=1S/C26H46O12S3/c1-15(2)6-7-16(3)18-8-9-19-17-12-22(36-39(27,28)29)21-13-23(37-40(30,31)32)24(38-41(33,34)35)14-26(21,5)20(17)10-11-25(18,19)4/h15-24H,6-14H2,1-5H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1 |
| SMILES | CC(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C26H46O12S3/c1-15(2)6-7-16(3)18-8-9-19-17-12-22(36-39(27,28)29)21-13-23(37-40(30,31)32)24(38-41(33,34)35)14-26(21,5)20(17)10-11-25(18,19)4/h15-24H,6-14H2,1-5H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[CH2:6][CH2:7][C@@H:16]([CH3:3])[C@H:18]1[CH2:8][CH2:9][C@H:19]2[C@@H:17]3[CH2:12][C@H:22]([O:36][S:39]([OH:27])(=[O:28])=[O:29])[C@H:21]4[CH2:13][C@H:23]([O:37][S:40]([OH:30])(=[O:31])=[O:32])[C@@H:24]([O:38][S:41]([OH:33])(=[O:34])=[O:35])[CH2:14][C@:26]4([CH3:5])[C@H:20]3[CH2:10][CH2:11][C@:25]12[CH3:4] |
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