| Properties | Image |
|---|
| MNX_ID | MNXM1131570 |
 |
| reference | lipidmapsM:LMSP02040051 |
| formula | C65H123NO5 |
| global charge | 0 |
| mol weight | 998.701 |
| InChIKey | COJGUGZDOOTUBD-MLFODICUSA-N |
| InChI | InChI=1S/C65H123NO5/c1-3-5-7-9-11-13-15-17-29-33-37-41-45-49-53-57-63(68)62(61-67)66-64(69)58-54-50-46-42-38-34-31-27-25-23-21-19-20-22-24-26-28-32-36-40-44-48-52-56-60-71-65(70)59-55-51-47-43-39-35-30-18-16-14-12-10-8-6-4-2/h12,14,18,30,53,57,62-63,67-68H,3-11,13,15-17,19-29,31-52,54-56,58-61H2,1-2H3,(H,66,69)/b14-12-,30-18-,57-53+/t62-,63+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H123NO5/c1-3-5-7-9-11-13-15-17-29-33-37-41-45-49-53-57-63(68)62(61-67)66-64(69)58-54-50-46-42-38-34-31-27-25-23-21-19-20-22-24-26-28-32-36-40-44-48-52-56-60-71-65(70)59-55-51-47-43-39-35-30-18-16-14-12-10-8-6-4-2/h12,14,18,30,53,57,62-63,67-68H,3-11,13,15-17,19-29,31-52,54-56,58-61H2,1-2H3,(H,66,69)/b14-12-,30-18-,57-53+/t62-,63+/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][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49]/[CH:53]=[CH:57]/[C@H:63]([C@H:62]([CH2:61][OH:67])[N:66]=[C:64]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:31][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][O:71][C:65]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35]/[CH:30]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:70])[OH:69])[OH:68] |
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