MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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p-nitrophenyl palmitate

	Properties	Image
MNX_ID	MNXM18356
reference	chebi:85645
formula	C₂₂H₃₅NO₄
global charge	0
mol weight	377.525
InChIKey	LVZSQWIWCANHPF-UHFFFAOYSA-N
InChI	InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
SMILES	CCCCCCCCCCCCCCCC(=O)OC1=CC=C([N+](=O)[O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:22](=[O:24])[O:27][C:21]1=[CH:19][CH:17]=[C:20]([N+:23]([O-:25])=[O:26])[CH:16]=[CH:18]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85645 chebi:85645 LVZSQWIWCANHPF-UHFFFAOYSA-N	p-nitrophenyl palmitate (4-nitrophenyl) hexadecanoate 4-Nitrophenyl palmitate 4-nitrophenyl hexadecanoate Hexadecanoic acid 4-nitrophenyl ester p-nitrophenyl hexadecanoate para-nitrophenyl palmitate paranitrophenyl palmitate
seed.compound:cpd35814 seedM:cpd35814 LVZSQWIWCANHPF-UHFFFAOYSA-N	(4-nitrophenyl) hexadecanoate 4-nitrophenyl palmitate p-nitrophenyl hexadecanoate p-nitrophenyl palmitate para-nitrophenyl palmitate
metacyc.compound:CPD-21488 metacycM:CPD-21488 LVZSQWIWCANHPF-UHFFFAOYSA-N	4-nitrophenyl palmitate (4-nitrophenyl) hexadecanoate p-nitrophenyl hexadecanoate p-nitrophenyl palmitate para-nitrophenyl palmitate
sabiork.compound:27193 sabiorkM:27193 LVZSQWIWCANHPF-UHFFFAOYSA-N	p-Nitrophenyl palmitate
seedM:M_cpd35814	secondary/obsolete/fantasy identifier