| Properties | Image |
|---|
| MNX_ID | MNXM156324 |
 |
| reference | lipidmapsM:LMSP0501AA70 |
| formula | C38H71NO9 |
| global charge | 0 |
| mol weight | 685.984 |
| InChIKey | QCACSDFYKXIZEI-KCQMAQCKSA-N |
| InChI | InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(42)37(46)39-30(31(41)26-24-22-20-18-12-10-8-6-4-2)29-47-38-36(45)35(44)34(43)33(28-40)48-38/h20,22,24,26,30-36,38,40-45H,3-19,21,23,25,27-29H2,1-2H3,(H,39,46)/b22-20+,26-24+/t30-,31+,32?,33+,34+,35-,36+,38+/m0/s1 |
| SMILES | CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C38H71NO9/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(42)37(46)39-30(31(41)26-24-22-20-18-12-10-8-6-4-2)29-47-38-36(45)35(44)34(43)33(28-40)48-38/h20,22,24,26,30-36,38,40-45H,3-19,21,23,25,27-29H2,1-2H3,(H,39,46)/b22-20+,26-24+/t30-,31+,32?,33+,34+,35-,36+,38+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH:32]([C:37](=[N:39][C@@H:30]([CH2:29][O:47][C@H:38]1[C@H:36]([OH:45])[C@@H:35]([OH:44])[C@H:34]([OH:43])[C@@H:33]([CH2:28][OH:40])[O:48]1)[C@@H:31](/[CH:26]=[CH:24]/[CH:22]=[CH:20]/[CH2:18][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:41])[OH:46])[OH:42] |
|