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

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sn-glycero-3-phospho-(1'-rac-glycerol)

	Properties	Image
MNX_ID	MNXM1106891
reference	chebi:84515
formula	C₆H₁₄O₈P
global charge	-1
mol weight	245.144
InChIKey	LLCSXHMJULHSJN-LWOQYNTDSA-M
InChI	InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/p-1/t5-,6?/m1/s1
SMILES	O=P([O-])(OCC(O)CO)OC[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6?/m1/s1
SMILES (mnx)	[CH2:1]([C@H:5]([CH2:3][O:13][P:15]([OH:11])(=[O:12])[O:14][CH2:4][CH:6]([CH2:2][OH:8])[OH:10])[OH:9])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	62
in models (compartimentalized)	43

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84515 chebi:84515 LLCSXHMJULHSJN-LWOQYNTDSA-M	sn-glycero-3-phospho-(1'-rac-glycerol) (2R)-2,3-dihydroxypropyl 2,3-dihydroxypropyl phosphate sn-glycero-3-phosphoglycerol(1-)
bigg.metabolite:g3pg biggM:g3pg sabiork.compound:6520 sabiorkM:6520 kegg.compound:C03274 keggC:C03274 vmhM:g3pg vmhmetabolite:g3pg LLCSXHMJULHSJN-UHFFFAOYSA-M LLCSXHMJULHSJN-UHFFFAOYSA-N	Glycerophosphoglycerol
seed.compound:cpd02090 seedM:cpd02090 LLCSXHMJULHSJN-UHFFFAOYSA-M	Glycerophosphoglycerol bis(2,3-dihydroxypropyl) phosphate diglycerol phosphate g3pg glycerophosphoglycerol
CHEBI:5457 chebi:5457 LLCSXHMJULHSJN-UHFFFAOYSA-N	glycerophosphoglycerol bis(2,3-dihydroxypropyl) hydrogen phosphate
metacyc.compound:GLYCEROPHOSPHOGLYCEROL metacycM:GLYCEROPHOSPHOGLYCEROL LLCSXHMJULHSJN-UHFFFAOYSA-M	glycerophosphoglycerol bis(2,3-dihydroxypropyl) phosphate diglycerol phosphate
CHEBI:61933 chebi:61933 LLCSXHMJULHSJN-UHFFFAOYSA-M	glycerophosphoglycerol bis(2,3-dihydroxypropyl) phosphate glycerophosphoglycerol anion glycerophosphoglycerol(1-)
CHEBI:85411 chebi:85411 LLCSXHMJULHSJN-LWOQYNTDSA-N	sn-glycero-3-phosphoglycerol (2R)-2,3-dihydroxypropyl 2,3-dihydroxypropyl hydrogen phosphate
biggM:M_g3pg keggC:M_C03274 seedM:M_cpd02090 vmhM:M_g3pg	secondary/obsolete/fantasy identifier