| Properties | Image |
MNX_ID | MNXM104408 |
 |
reference | lipidmapsM:LMGL02010327 |
formula | C33H60O5 |
global charge | 0 |
mol weight | 536.838 |
InChIKey | UOOHRICXHJJDKQ-IETDKGQZSA-N |
InChI | InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,31,34H,3-10,15-30H2,1-2H3/b13-11-,14-12-/t31-/m0/s1 |
SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C33H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,31,34H,3-10,15-30H2,1-2H3/b13-11-,14-12-/t31-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][C:32](=[O:35])[O:37][CH2:30][C@H:31]([CH2:29][OH:34])[O:38][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:36] |
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