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15-epi-lipoxin A5

PropertiesImage
MNX_IDMNXM163647 Image of MNXM163647
referencebiggM:CE7112
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyCBOMORHDRONZRN-LVJYDSGRSA-M
InChIInChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3?,7-4?,13-12+/t15-,16+,17+,19+/m0/s1
SMILESCCC=CC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3?,7-4?,13-12+/t15-,16+,17+,19+/m0/s1 Image of MNXM163647
SMILES (mnx)[CH3:1][CH2:2][CH:3]=[CH:6][CH2:9][C@@H:15](/[CH:12]=[CH:13]/[C@@H:17]1[C@@H:16]([CH2:10][CH:7]=[CH:4][CH2:5][CH2:8][CH2:11][C:20]([OH:24])=[O:25])[C:18](=[O:22])[CH2:14][C@H:19]1[OH:23])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE7112
biggM:CE7112
vmhM:CE7112
vmhM:CE7112
vmhmetabolite:CE7112
vmhmetabolite:CE7112
CBOMORHDRONZRN-LVJYDSGRSA-M
15-epi-lipoxin A5

biggM:M_CE7112
vmhM:M_CE7112
secondary/obsolete/fantasy identifier