| Properties | Image |
MNX_ID | MNXM71379 |
 |
reference | chebi:179928 |
formula | C37H68NO8P |
global charge | 0 |
mol weight | 685.924 |
InChIKey | WSPJTGKOYNVEPC-QKXMIXIJSA-N |
InChI | InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11-12,14-15,17,35H,3-8,10,13,16,18-34,38H2,1-2H3,(H,41,42)/b11-9-,14-12-,17-15-/t35-/m1/s1 |
SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)(O)OCCN |
MNX internals
InChI (mnx) | InChI=1/C37H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11-12,14-15,17,35H,3-8,10,13,16,18-34,38H2,1-2H3,(H,41,42)/b11-9-,14-12-,17-15-/t35-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:37](=[O:40])[O:46][C@H:35]([CH2:33][O:43][C:36]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39])[CH2:34][O:45][P:47]([OH:41])(=[O:42])[O:44][CH2:32][CH2:31][NH2:38] |
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