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

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C20 sphingosine

	Properties	Image
MNX_ID	MNXM119993
reference	chebi:71982
formula	C₂₀H₄₁NO₂
global charge	0
mol weight	327.553
InChIKey	HTJSZHKGNMXZJN-YIVRLKKSSA-N
InChI	InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h16-17,19-20,22-23H,2-15,18,21H2,1H3/b17-16+/t19-,20+/m0/s1
SMILES	CCCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO

MNX internals

InChI (mnx)	InChI=1/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h16-17,19-20,22-23H,2-15,18,21H2,1H3/b17-16+/t19-,20+/m0/s1
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]/[CH:16]=[CH:17]/[C@H:20]([C@H:19]([CH2:18][OH:22])[NH2:21])[OH:23]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71982 chebi:71982 HTJSZHKGNMXZJN-YIVRLKKSSA-N	C20 sphingosine (2S,3R,4E)-2-aminoeicos-4-ene-1,3-diol (2S,3R,4E)-2-aminoicos-4-ene-1,3-diol C20 sphing-4-enine Sphingosine d20:1 eicosasphing-4-enine eicosasphingosine icosasphing-4-enine icosasphingosine
CHEBI:189958 chebi:189958 HTJSZHKGNMXZJN-JDASADTNSA-N	D-erythro-Sphingosine C-20 (E,2S)-2-aminoicos-4-ene-1,3-diol
lipidmaps:LMSP01040009 lipidmapsM:LMSP01040009 HTJSZHKGNMXZJN-YIVRLKKSSA-N	Eicosasphingosine (2S,3R,4E)-2-aminoeicos-4-ene-1,3-diol C20 sphing-4-enine C20 sphingosine O2 SPB 20:1 eicosasphing-4-enine
CHEBI:71983 chebi:71983 HTJSZHKGNMXZJN-YIVRLKKSSA-O	eicosasphing-4-enine (2S,3R,4E)-1,3-dihydroxyeicos-4-en-2-aminium (2S,3R,4E)-1,3-dihydroxyicos-4-en-2-aminium C20 sphing-4-enine C20 sphingosine(1+) eicosasphing-4-enine(1+) eicosasphingosine(1+) icosasphing-4-enine(1+) icosasphingosine(1+)