| Properties | Image |
|---|
| MNX_ID | MNXM1131691 |
 |
| reference | lipidmapsM:LMSP02040175 |
| formula | C62H117NO6 |
| global charge | 0 |
| mol weight | 972.619 |
| InChIKey | CRQROSJWYZAAEW-FUYPLSGRSA-N |
| InChI | InChI=1S/C62H117NO6/c1-3-5-7-9-11-13-15-16-26-30-33-37-41-45-49-53-62(68)69-56-50-46-42-38-34-31-28-25-23-21-19-17-18-20-22-24-27-29-32-36-40-44-48-52-61(67)63-59(57-64)60(66)55-54-58(65)51-47-43-39-35-14-12-10-8-6-4-2/h11,13,16,26,54-55,58-60,64-66H,3-10,12,14-15,17-25,27-53,56-57H2,1-2H3,(H,63,67)/b13-11-,26-16-,55-54+/t58-,59+,60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H117NO6/c1-3-5-7-9-11-13-15-16-26-30-33-37-41-45-49-53-62(68)69-56-50-46-42-38-34-31-28-25-23-21-19-17-18-20-22-24-27-29-32-36-40-44-48-52-61(67)63-59(57-64)60(66)55-54-58(65)51-47-43-39-35-14-12-10-8-6-4-2/h11,13,16,26,54-55,58-60,64-66H,3-10,12,14-15,17-25,27-53,56-57H2,1-2H3,(H,63,67)/b13-11-,26-16-,55-54+/t58-,59+,60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:26]\[CH2:30][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][C:62](=[O:68])[O:69][CH2:56][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:31][CH2:28][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:27][CH2:29][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][C:61](=[N:63][C@@H:59]([CH2:57][OH:64])[C@@H:60](/[CH:55]=[CH:54]/[C@@H:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:65])[OH:66])[OH:67] |
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