T25

(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid

Created:	2007-10-10
Last modified:	2020-06-05

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3 entries where T25 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	2
Bond Count	53
Aromatic Bond Count	0

2D diagram of T25

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Chemical Component Summary
Name	(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
Synonyms	12R,13S-epoxy-9(Z)-octadecenoic acid
Systematic Name (OpenEye OEToolkits)	(Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
Formula	C₁₈ H₃₂ O₃
Molecular Weight	296.445
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCC/C=C\CC1OC1CCCCC
SMILES	CACTVS	3.341	CCCCC[CH]1O[CH]1CC=CCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC1C(O1)CC=CCCCCCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1
InChIKey	InChI	1.03	CCPPLLJZDQAOHD-BEBBCNLGSA-N

Related Resource References

Resource Name	Reference
PubChem	5281128
ChEBI	CHEBI:38300

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