| Properties | Image |
|---|
| MNX_ID | MNXM26534 |
 |
| reference | lipidmapsM:LMGP04110001 |
| formula | C40H73O9P |
| global charge | 0 |
| mol weight | 728.989 |
| InChIKey | MWPDWUVBMJGEIM-QXIBXBCJSA-N |
| InChI | InChI=1S/C40H73O9P/c1-2-3-4-5-6-7-8-9-10-14-17-20-38(43)47-29-33(30-49-50(44,45)48-28-32(42)27-41)46-25-18-15-12-11-13-16-19-31-21-22-36-37(26-31)40-35-24-23-34(35)39(36)40/h31-37,39-42H,2-30H2,1H3,(H,44,45)/t31?,32-,33+,34?,35?,36?,37?,39?,40?/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
MNX internals
| InChI (mnx) | InChI=1/C40H73O9P/c1-2-3-4-5-6-7-8-9-10-14-17-20-38(43)47-29-33(30-49-50(44,45)48-28-32(42)27-41)46-25-18-15-12-11-13-16-19-31-21-22-36-37(26-31)40-35-24-23-34(35)39(36)40/h31-37,39-42H,2-30H2,1H3,(H,44,45)/t31?,32-,33+,34?,35?,36?,37?,39?,40?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:14][CH2:17][CH2:20][C:38](=[O:43])[O:47][CH2:29][C@H:33]([CH2:30][O:49][P:50]([OH:44])(=[O:45])[O:48][CH2:28][C@H:32]([CH2:27][OH:41])[OH:42])[O:46][CH2:25][CH2:18][CH2:15][CH2:12][CH2:11][CH2:13][CH2:16][CH2:19][CH:31]1[CH2:21][CH2:22][CH:36]2[CH:37]([CH2:26]1)[CH:40]1[CH:35]3[CH2:24][CH2:23][CH:34]3[CH:39]21 |
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