ECB

1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Created: 2017-12-07
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count0
Bond Count64
Aromatic Bond Count0
2D diagram of ECB
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Chemical Component Summary

Name1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms2-arachidonoylglycerol
Systematic Name (OpenEye OEToolkits)1,3-bis(oxidanyl)propan-2-yl (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate
FormulaC23 H38 O4
Molecular Weight378.545
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CCCCC\C=C/C\C=C/C[C@H]=[C@H]C[C@H]=[C@H]CCCC(=O)OC(CO)CO
SMILESCACTVS3.385CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO
SMILESOpenEye OEToolkits2.0.6CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO
Canonical SMILESCACTVS3.385 CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Canonical SMILESOpenEye OEToolkits2.0.6 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
InChIInChI1.03 InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyInChI1.03 RCRCTBLIHCHWDZ-DOFZRALJSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL122972
PubChem 5282280
ChEMBL CHEMBL122972
ChEBI CHEBI:52392