| Properties | Image |
MNX_ID | MNXM66438 |
 |
reference | lipidmapsM:LMGP10010164 |
formula | C33H61O8P |
global charge | 0 |
mol weight | 616.817 |
InChIKey | PQRKUIBFEUXHGA-AKAIPIGOSA-N |
InChI | InChI=1S/C33H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(34)39-29-31(30-40-42(36,37)38)41-33(35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,31H,3-10,15-30H2,1-2H3,(H2,36,37,38)/b13-11-,14-12-/t31-/m1/s1 |
SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C33H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(34)39-29-31(30-40-42(36,37)38)41-33(35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,31H,3-10,15-30H2,1-2H3,(H2,36,37,38)/b13-11-,14-12-/t31-/m1/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:34])[O:39][CH2:29][C@H:31]([CH2:30][O:40][P:42]([OH:36])([OH:37])=[O:38])[O:41][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:35] |
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