| Properties | Image |
|---|
| MNX_ID | MNXM1131682 |
 |
| reference | lipidmapsM:LMSP02040166 |
| formula | C62H117NO5 |
| global charge | 0 |
| mol weight | 956.62 |
| InChIKey | BZIDKIRJTWYFNX-DHDOGFLMSA-N |
| InChI | InChI=1S/C62H117NO5/c1-3-5-7-9-11-13-15-17-27-32-36-40-44-48-52-56-62(67)68-57-53-49-45-41-37-33-29-26-24-22-20-18-19-21-23-25-28-31-35-39-43-47-51-55-61(66)63-59(58-64)60(65)54-50-46-42-38-34-30-16-14-12-10-8-6-4-2/h11,13,17,27,50,54,59-60,64-65H,3-10,12,14-16,18-26,28-49,51-53,55-58H2,1-2H3,(H,63,66)/b13-11-,27-17-,54-50+/t59-,60+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H117NO5/c1-3-5-7-9-11-13-15-17-27-32-36-40-44-48-52-56-62(67)68-57-53-49-45-41-37-33-29-26-24-22-20-18-19-21-23-25-28-31-35-39-43-47-51-55-61(66)63-59(58-64)60(65)54-50-46-42-38-34-30-16-14-12-10-8-6-4-2/h11,13,17,27,50,54,59-60,64-65H,3-10,12,14-16,18-26,28-49,51-53,55-58H2,1-2H3,(H,63,66)/b13-11-,27-17-,54-50+/t59-,60+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:27]\[CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][C:62](=[O:67])[O:68][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:28][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][C:61](=[N:63][C@@H:59]([CH2:58][OH:64])[C@@H:60](/[CH:54]=[CH:50]/[CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:65])[OH:66] |
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