8PG

(8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID

Created:	2006-02-27
Last modified:	2021-03-01

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1 entries where 8PG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	3
Bond Count	56
Aromatic Bond Count	0

2D diagram of 8PG

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Chemical Component Summary
Name	(8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID
Synonyms	8-ISO PROSTAGLANDIN A1 (8-ISO PGA1)
Systematic Name (OpenEye OEToolkits)	7-[(1S,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]heptanoic acid
Formula	C₂₀ H₃₂ O₄
Molecular Weight	336.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCC1C(=O)C=CC1/C=C/C(O)CCCCC
SMILES	CACTVS	3.341	CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O
Canonical SMILES	CACTVS	3.341	CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1
InChIKey	InChI	1.03	BGKHCLZFGPIKKU-DRSVPBQLSA-N

Related Resource References

Resource Name	Reference
PubChem	6473771

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