78N

(2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE

Created:	2012-01-19
Last modified:	2021-03-01

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23 entries where 78N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	0

2D diagram of 78N

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Chemical Component Summary
Name	(2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE
Synonyms	7.8 MONOACYLGLYCEROL (2R)
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-bis(oxidanyl)propyl] (Z)-pentadec-7-enoate
Formula	C₁₈ H₃₄ O₄
Molecular Weight	314.46
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(O)CO)CCCCC\C=C/CCCCCCC
SMILES	CACTVS	3.370	CCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCC=CCCCCCC(=O)OCC(CO)O
Canonical SMILES	CACTVS	3.370	CCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
InChI	InChI	1.03	InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m1/s1
InChIKey	InChI	1.03	BJMLBVHMHXYQFS-XZVRFQMRSA-N

Related Resource References

Resource Name	Reference
PubChem	70698414

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