7MS

(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid

Created:	2016-11-16
Last modified:	2024-09-27

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1 entries where 7MS is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	2
Bond Count	55
Aromatic Bond Count	0

2D diagram of 7MS

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Chemical Component Summary
Name	(5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
Systematic Name (OpenEye OEToolkits)	(5~{Z},11~{Z},14~{Z},17~{R},18~{R})-17,18-bis(oxidanyl)icosa-5,8,11,14-tetraenoic acid
Formula	C₂₀ H₃₂ O₄
Molecular Weight	336.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCC(O)C(O)C[C@H]=CC[C@H]=[C@H]C[C@H]=[C@H]C/C=C\CCCC(O)=O
SMILES	CACTVS	3.385	CC[CH](O)[CH](O)CC=CCC=CCC=CCC=CCCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCC(C(CC=CCC=CCC=CCC=CCCCC(=O)O)O)O
Canonical SMILES	CACTVS	3.385	CC[C@@H](O)[C@H](O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1
InChIKey	InChI	1.03	XYDVGNAQQFWZEF-VXNZHGHESA-N

Related Resource References

Resource Name	Reference
PubChem	35026884

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