Structural Complex
Chemical ID: A1J4E
IUPAC Name: (S)-10-Hydroxystearic acid
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C18 H36 O3
Molecular weight: 300.477
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 2
Rotatable Bonds: 18
Heavy Atoms: 21
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 (10~{S})-10-oxidanyloctadecanoic acid
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
InChIKey InChI 1.06 PAZZVPKITDJCPV-KRWDZBQOSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCCCCC[C@H](O)CCCCCCCCC(O)=O
SMILES CACTVS 3.385 CCCCCCCC[CH](O)CCCCCCCCC(O)=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCCCCCCC[C@@H](CCCCCCCCC(=O)O)O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCC(CCCCCCCCC(=O)O)O
Chemical Database Mapping
Database Reference ID
PubChem 91864452
ZINC ZINC000071755920
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