| Properties | Image |
|---|
| MNX_ID | MNXM150117 |
 |
| reference | lipidmapsM:LMSP02040007 |
| formula | C58H113NO4 |
| global charge | 0 |
| mol weight | 888.545 |
| InChIKey | MQLNLVJWQPLYDU-FUWLXEFUSA-N |
| InChI | InChI=1S/C58H113NO4/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-58(62)63-54-55(56(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)59-57(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h48,51,55-56,60H,4-47,49-50,52-54H2,1-3H3,(H,59,61)/b51-48+/t55-,56+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H113NO4/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-38-41-44-47-50-53-58(62)63-54-55(56(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2)59-57(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3/h48,51,55-56,60H,4-47,49-50,52-54H2,1-3H3,(H,59,61)/b51-48+/t55-,56+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:58](=[O:62])[O:63][CH2:54][C@@H:55]([C@@H:56](/[CH:51]=[CH:48]/[CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:60])[N:59]=[C:57]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:61] |
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