Search MNXref
 Feedback

Egregiachloride A

PropertiesImage
MNX_IDMNXM104799 Image of MNXM104799
referencechebi:180452
formulaC18H27ClO3
global charge0
mol weight326.864
InChIKeyBUSAMCWWFKPNGV-SOVGUPCDSA-N
InChIInChI=1S/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1
SMILESCC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\CCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1 Image of MNXM104799
SMILES (mnx)[CH3:1][CH2:2][C@@H:15]([C@@H:14]1[CH2:12][C@H:16]2[C@@H:18]([C@H:13]1/[CH:10]=[CH:8]\[CH2:6]/[CH:4]=[CH:3]\[CH2:5][CH2:7][CH2:9][CH2:11][C:17](=[O:20])[OH:21])[O:22]2)[Cl:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:180452
chebi:180452
BUSAMCWWFKPNGV-SOVGUPCDSA-N 		Egregiachloride A
(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid

lipidmaps:LMFA03120052
lipidmapsM:LMFA03120052
BUSAMCWWFKPNGV-SOVGUPCDSA-N 		Egregiachloride A
19,20-dinor-12R,13S-epoxy,16S-chloro-6Z,9Z-prostadienoic acid cyclo-[11S,15R]