| Properties | Image |
|---|
| MNX_ID | MNXM1131414 |
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| reference | lipidmapsM:LMSP02010138 |
| formula | C44H87NO4 |
| global charge | 0 |
| mol weight | 694.183 |
| InChIKey | CCBPFFWGAIQMKD-ASVTVCOISA-N |
| InChI | InChI=1S/C44H87NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-44(49)45-42(40-46)43(48)39-38-41(47)36-34-32-30-28-14-12-10-8-6-4-2/h38-39,41-43,46-48H,3-37,40H2,1-2H3,(H,45,49)/b39-38+/t41-,42+,43-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H87NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-44(49)45-42(40-46)43(48)39-38-41(47)36-34-32-30-28-14-12-10-8-6-4-2/h38-39,41-43,46-48H,3-37,40H2,1-2H3,(H,45,49)/b39-38+/t41-,42+,43-/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][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[N:45][C@@H:42]([CH2:40][OH:46])[C@@H:43](/[CH:39]=[CH:38]/[C@@H:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:47])[OH:48])[OH:49] |
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