| Properties | Image |
|---|
| MNX_ID | MNXM1131593 |
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| reference | lipidmapsM:LMSP02040074 |
| formula | C64H121NO5 |
| global charge | 0 |
| mol weight | 984.674 |
| InChIKey | NULQBNJVDIRGNH-DKTVVNRFSA-N |
| InChI | InChI=1S/C64H121NO5/c1-3-5-7-9-11-13-15-17-19-25-29-32-36-40-44-48-52-56-62(67)61(60-66)65-63(68)57-53-49-45-41-37-33-30-26-23-21-20-22-24-27-31-35-39-43-47-51-55-59-70-64(69)58-54-50-46-42-38-34-28-18-16-14-12-10-8-6-4-2/h12,14,18,28,52,56,61-62,66-67H,3-11,13,15-17,19-27,29-51,53-55,57-60H2,1-2H3,(H,65,68)/b14-12-,28-18-,56-52+/t61-,62+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H121NO5/c1-3-5-7-9-11-13-15-17-19-25-29-32-36-40-44-48-52-56-62(67)61(60-66)65-63(68)57-53-49-45-41-37-33-30-26-23-21-20-22-24-27-31-35-39-43-47-51-55-59-70-64(69)58-54-50-46-42-38-34-28-18-16-14-12-10-8-6-4-2/h12,14,18,28,52,56,61-62,66-67H,3-11,13,15-17,19-27,29-51,53-55,57-60H2,1-2H3,(H,65,68)/b14-12-,28-18-,56-52+/t61-,62+/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][CH2:19][CH2:25][CH2:29][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48]/[CH:52]=[CH:56]/[C@H:62]([C@H:61]([CH2:60][OH:66])[N:65]=[C:63]([CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:30][CH2:26][CH2:23][CH2:21][CH2:20][CH2:22][CH2:24][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][O:70][C:64]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34]/[CH:28]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:69])[OH:68])[OH:67] |
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