| Properties | Image |
|---|
| MNX_ID | MNXM1131784 |
 |
| reference | lipidmapsM:LMSP06030003 |
| formula | C36H69NO9 |
| global charge | 0 |
| mol weight | 659.946 |
| InChIKey | DSMJLKZISHZLCP-IRVKCHPESA-N |
| InChI | InChI=1S/C36H69NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(38)28(27-45-36-33(42)31(40)32(41)34(46-36)35(43)44)37-30(39)26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29,31-34,36,38,40-42H,3-27H2,1-2H3,(H,37,39)(H,43,44)/t28-,29+,31-,32-,33+,34-,36+/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C36H69NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(38)28(27-45-36-33(42)31(40)32(41)34(46-36)35(43)44)37-30(39)26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29,31-34,36,38,40-42H,3-27H2,1-2H3,(H,37,39)(H,43,44)/t28-,29+,31-,32-,33+,34-,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][C@H:29]([C@H:28]([CH2:27][O:45][C@H:36]1[C@H:33]([OH:42])[C@@H:31]([OH:40])[C@H:32]([OH:41])[C@@H:34]([C:35](=[O:43])[OH:44])[O:46]1)[N:37]=[C:30]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:38] |
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