| Properties | Image |
|---|
| MNX_ID | MNXM161219 |
 |
| reference | chebi:36276 |
| formula | C26H44NNaO7S |
| global charge | 0 |
| mol weight | 537.695 |
| InChIKey | JAJWGJBVLPIOOH-IZYKLYLVSA-M |
| InChI | InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1 |
| SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]([CH2:4][CH2:7][C:23](=[N:27][CH2:10][CH2:11][S:35]([OH:32])(=[O:33])=[O:34])[OH:31])[C@H:18]1[CH2:5][CH2:6][C@H:19]2[C@H:24]3[C@H:20]([CH2:14][C@H:22]([OH:30])[C@:26]12[CH3:3])[C@@:25]1([CH3:2])[CH2:9][CH2:8][C@@H:17]([OH:28])[CH2:12][C@H:16]1[CH2:13][C@H:21]3[OH:29].[Na+:36] |
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