palmitoleic acid - PubChem Public Chemical Database


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palmitoleic acid - Substance Summary (SID 10558)

factor capable of converting CaATPase into MgATPase; RN given refers to cpd without isomeric designation

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Drug and Chemical Information

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Substance Information

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Drug and Chemical Information: (Total:1)

palmitoleic acid

Safety and Toxicology

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Data Source:

Depositor: KEGG
External ID: C08362

Properties Computed from Structure:

Molecular Weight	254.4082 [g/mol]
Molecular Formula	C₁₆H₃₀O₂
XLogP3	6.4
H-Bond Donor	1
H-Bond Acceptor	2
Rotatable Bond Count	13
Exact Mass	254.22458
MonoIsotopic Mass	254.22458
Topological Polar Surface Area	37.3
Heavy Atom Count	18
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: (Z)-hexadec-9-enoic acid
Canonical SMILES: CCCCCCC=CCCCCCCCC(=O)O
Isomeric SMILES: CCCCCC/C=C\CCCCCCCC(=O)O
InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,
2-6,9-15H2,1H3,(H,17,18)/b8-7-

InChIKey: SECPZKHBENQXJG-FPLPWBNLSA-N

Substance Information:

SID 10558

Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 445638

Create Date: 2004-09-16

Related Substances:

Same: 15 Links
Same, Connectivity: 40 Links
Same, Stereochemistry: 18 Links
Same, Isotopes: 37 Links

Similar Substances: 3234 Links

Depositor-Supplied Comments:

CAS: 373-49-9
ChEBI: 28716
LIPIDMAPS: LMFA01030056
LipidBank: DFA0095
KNApSAcK: C00001234
PDB-CCD: PAM
3DMET: B02171
Is a reactant or product of enzyme EC 3.1.2.-

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	2D		3D

Compound ID	445638
Molecular Weight	254.4082 [g/mol]
Molecular Formula	C₁₆H₃₀O₂
XLogP3	6.4
H-Bond Donor	1
H-Bond Acceptor	2

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