| Properties | Image |
|---|
| MNX_ID | MNXM1131550 |
 |
| reference | lipidmapsM:LMSP02040031 |
| formula | C63H119NO5 |
| global charge | 0 |
| mol weight | 970.647 |
| InChIKey | KITIETUYIZTKGE-ZSXLHHABSA-N |
| InChI | InChI=1S/C63H119NO5/c1-3-5-7-9-11-13-15-17-28-33-37-41-45-49-53-57-63(68)69-58-54-50-46-42-38-34-30-27-25-23-21-19-18-20-22-24-26-29-32-36-40-44-48-52-56-62(67)64-60(59-65)61(66)55-51-47-43-39-35-31-16-14-12-10-8-6-4-2/h11,13,17,28,51,55,60-61,65-66H,3-10,12,14-16,18-27,29-50,52-54,56-59H2,1-2H3,(H,64,67)/b13-11-,28-17-,55-51+/t60-,61+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H119NO5/c1-3-5-7-9-11-13-15-17-28-33-37-41-45-49-53-57-63(68)69-58-54-50-46-42-38-34-30-27-25-23-21-19-18-20-22-24-26-29-32-36-40-44-48-52-56-62(67)64-60(59-65)61(66)55-51-47-43-39-35-31-16-14-12-10-8-6-4-2/h11,13,17,28,51,55,60-61,65-66H,3-10,12,14-16,18-27,29-50,52-54,56-59H2,1-2H3,(H,64,67)/b13-11-,28-17-,55-51+/t60-,61+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:28]\[CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][C:63](=[O:68])[O:69][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:29][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][C:62](=[N:64][C@@H:60]([CH2:59][OH:65])[C@@H:61](/[CH:55]=[CH:51]/[CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:66])[OH:67] |
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