| Properties | Image |
|---|
| MNX_ID | MNXM1131687 |
 |
| reference | lipidmapsM:LMSP02040171 |
| formula | C64H123NO5 |
| global charge | 0 |
| mol weight | 986.69 |
| InChIKey | RJAWGDIGLGOBLX-RLVGNANKSA-N |
| InChI | InChI=1S/C64H123NO5/c1-3-5-7-9-11-13-15-17-29-34-38-42-46-50-54-58-64(69)70-59-55-51-47-43-39-35-31-28-26-24-22-20-18-19-21-23-25-27-30-33-37-41-45-49-53-57-63(68)65-61(60-66)62(67)56-52-48-44-40-36-32-16-14-12-10-8-6-4-2/h11,13,17,29,61-62,66-67H,3-10,12,14-16,18-28,30-60H2,1-2H3,(H,65,68)/b13-11-,29-17-/t61-,62+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H123NO5/c1-3-5-7-9-11-13-15-17-29-34-38-42-46-50-54-58-64(69)70-59-55-51-47-43-39-35-31-28-26-24-22-20-18-19-21-23-25-27-30-33-37-41-45-49-53-57-63(68)65-61(60-66)62(67)56-52-48-44-40-36-32-16-14-12-10-8-6-4-2/h11,13,17,29,61-62,66-67H,3-10,12,14-16,18-28,30-60H2,1-2H3,(H,65,68)/b13-11-,29-17-/t61-,62+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:29]\[CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][C:64](=[O:69])[O:70][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:30][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][C:63](=[N:65][C@@H:61]([CH2:60][OH:66])[C@@H:62]([CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:67])[OH:68] |
|