| Properties | Image |
MNX_ID | MNXM63641 |
 |
reference | chebi:165528 |
formula | C23H37NO4 |
global charge | 0 |
mol weight | 391.552 |
InChIKey | FQUVPTVNRMUOPO-PHFBTNDKSA-N |
InChI | InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28/h6-7,9-10,12-13,15-16,21,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-/t21-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](CO)C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28/h6-7,9-10,12-13,15-16,21,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-/t21-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][C:22](=[N:24][C@H:21]([CH2:20][OH:25])[C:23](=[O:27])[OH:28])[OH:26] |
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