Search MNXref
 Feedback

10-hydroxy-E4-neuroprostane

MNXM12130 is deprecated and here replaced by MNXM727333
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727333 Image of MNXM727333
referencebiggM:CE6458
formulaC22H31O5
global charge-1
mol weight375.485
InChIKeyIFQRUHXGXJVRNV-ATZZMNRSSA-M
InChIInChI=1S/C22H32O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-20,23-24H,2,4,10-13,16H2,1H3,(H,26,27)/p-1/b7-5-,8-3?,9-6-,15-14?/t17-,18+,19-,20?/m0/s1
SMILESCCC=CC[C@H]1C(O)CC(=O)[C@H]1C=C[C@@H](O)C/C=C\C/C=C\CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C22H32O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-20,23-24H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3?,9-6-,15-14?/t17-,18+,19-,20?/m0/s1 Image of MNXM727333
SMILES (mnx)[CH3:1][CH2:2][CH:3]=[CH:8][CH2:12][C@@H:18]1[C@H:19]([CH:15]=[CH:14][C@H:17]([CH2:11]/[CH:9]=[CH:6]\[CH2:4]/[CH:5]=[CH:7]\[CH2:10][CH2:13][C:22](=[O:26])[OH:27])[OH:23])[C:21](=[O:25])[CH2:16][CH:20]1[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE6458
biggM:CE6458
vmhM:CE6458
vmhmetabolite:CE6458
IFQRUHXGXJVRNV-ATZZMNRSSA-M 		10-hydroxy-E4-neuroprostane

biggM:M_CE6458
vmhM:M_CE6458 		secondary/obsolete/fantasy identifier