| Properties | Image |
|---|
| MNX_ID | MNXM1131522 |
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| reference | lipidmapsM:LMSP02030057 |
| formula | C43H87NO4 |
| global charge | 0 |
| mol weight | 682.172 |
| InChIKey | PMJABXIZLCOFDV-MUUZQFHDSA-N |
| InChI | InChI=1S/C43H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(47)44-40(39-45)43(48)41(46)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-41,43,45-46,48H,3-39H2,1-2H3,(H,44,47)/t40-,41+,43-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(47)44-40(39-45)43(48)41(46)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-41,43,45-46,48H,3-39H2,1-2H3,(H,44,47)/t40-,41+,43-/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][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:42](=[N:44][C@@H:40]([CH2:39][OH:45])[C@@H:43]([C@@H:41]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:46])[OH:48])[OH:47] |
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