PJ2

(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid

Created:	2009-09-29
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	0

2D diagram of PJ2

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Chemical Component Summary
Name	(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
Synonyms	delta12-prostaglandine J2
Systematic Name (OpenEye OEToolkits)	(Z)-7-[(1S,5Z)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid
Formula	C₂₀ H₃₀ O₄
Molecular Weight	334.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)CCC/C=C\CC1C=CC(=O)\C1=C/CC(O)CCCCC
SMILES	CACTVS	3.352	CCCCC[CH](O)CC=C1[CH](CC=CCCCC(O)=O)C=CC1=O
SMILES	OpenEye OEToolkits	1.7.0	CCCCCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O
Canonical SMILES	CACTVS	3.352	CCCCC[C@H](O)C\C=C/1[C@@H](C\C=C/CCCC(O)=O)C=CC/1=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1
InChIKey	InChI	1.03	TUXFWOHFPFBNEJ-WHYHPIPXSA-N

Related Resource References

Resource Name	Reference
PubChem	6442342

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