| Properties | Image |
|---|
| MNX_ID | MNXM1131411 |
 |
| reference | lipidmapsM:LMSP02010135 |
| formula | C47H93NO4 |
| global charge | 0 |
| mol weight | 736.264 |
| InChIKey | LGEXOOWYKFBNHP-RXEWLSQESA-N |
| InChI | InChI=1S/C47H93NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-47(52)48-45(43-49)46(51)42-41-44(50)39-37-35-33-31-14-12-10-8-6-4-2/h41-42,44-46,49-51H,3-40,43H2,1-2H3,(H,48,52)/b42-41+/t44-,45+,46-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H93NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-47(52)48-45(43-49)46(51)42-41-44(50)39-37-35-33-31-14-12-10-8-6-4-2/h41-42,44-46,49-51H,3-40,43H2,1-2H3,(H,48,52)/b42-41+/t44-,45+,46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[N:48][C@@H:45]([CH2:43][OH:49])[C@@H:46](/[CH:42]=[CH:41]/[C@@H:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:50])[OH:51])[OH:52] |
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