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15-methyl-15S-PGD2

MNXM33458 is deprecated and here replaced by MNXM1369131
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369131 Image of MNXM1369131
referencechebi:156163
formulaC21H34O5
global charge0
mol weight366.498
InChIKeyCTXLUMAOXBULOZ-FVNPLAROSA-N
InChIInChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21?/m1/s1
SMILESCCCCCC(C)(O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21?/m1/s1 Image of MNXM1369131
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:9][CH2:13][C:21]([CH3:2])(/[CH:14]=[CH:12]/[C@@H:17]1[C@@H:16]([CH2:10]/[CH:7]=[CH:5]\[CH2:6][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C@@H:18]([OH:22])[CH2:15][C:19]1=[O:23])[OH:26]
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:156163
chebi:156163
CTXLUMAOXBULOZ-FVNPLAROSA-N 		15-methyl-15S-PGD2
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid