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9R-glycinecysteinyl-15d-prostaglandin J2

PropertiesImage
MNX_IDMNXM1592419 Image of MNXM1592419
referencevmhM:15dpgj2gcr
vmhM:15dpgj2gcr
formulaC25H37N2O6S
global charge-1
mol weight493.646
InChIKeyQSAUCNZECJBNBO-MBWJOJOSSA-M
InChIInChI=1S/C25H38N2O6S/c1-2-3-4-5-6-9-12-18-19(13-10-7-8-11-14-23(29)30)22(15-21(18)28)34-17-20(26)25(33)27-16-24(31)32/h6-7,9-10,12,19-20,22H,2-5,8,11,13-17,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/p-1/b9-6+,10-7-,18-12+/t19-,20+,22-/m1/s1
SMILESCCCCC/C=C/C=C1/C(=O)C[C@@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H]1C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C25H38N2O6S/c1-2-3-4-5-6-9-12-18-19(13-10-7-8-11-14-23(29)30)22(15-21(18)28)34-17-20(26)25(33)27-16-24(31)32/h6-7,9-10,12,19-20,22H,2-5,8,11,13-17,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b9-6+,10-7-,18-12+/t19-,20+,22-/m1/s1 Image of MNXM1592419
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]/[CH:12]=[C:18]1\[C@@H:19]([CH2:13]/[CH:10]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:23]([OH:29])=[O:30])[C@H:22]([S:34][CH2:17][C@@H:20]([C:25]([NH:27][CH2:16][C:24]([OH:31])=[O:32])=[O:33])[NH2:26])[CH2:15][C:21]1=[O:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:15dpgj2gcr
vmhM:15dpgj2gcr
vmhmetabolite:15dpgj2gcr
vmhmetabolite:15dpgj2gcr
QSAUCNZECJBNBO-MBWJOJOSSA-M 		9R-glycinecysteinyl-15d-prostaglandin J2

vmhM:M_15dpgj2gcr 		secondary/obsolete/fantasy identifier