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1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol

HCID 5282287
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIKey
QUZHZFAQJATMCA-VLTMIGNISA-N
Molecular formula
C45H74O10
Average molar mass
775.1 g/mol
Monoisotopic mass
774.52819855

Names & identifiers

Preferred name
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol
IUPAC
[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Names & synonyms

1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerolRefChem:934963[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoateSCHEMBL6023140CHEMBL5280649CHEBI:34042QUZHZFAQJATMCA-VLTMIGNISA-N1,2-dilinolenoyl-galactosylglycerolQ271157702,3-di-alpha-linolenoylglycerol 1-O-beta-d-galactopyranoside3-beta-D-galactopyranosyloxy-2-(octadeca-9Z,12Z,15Z-trienoyloxy)propanyl octadeca-9Z,12Z,15Z-trienoate3-beta-D-galactopyranosyloxy-2-(octadeca-9Z,I2Z,I5Z-trienoyloxy)propanyl octadeca-9Z,12Z,15Z-trienoate
Show more names
3beta-D-galactopyranosyloxy-2-(octadeca-9Z,12Z,15Z-trienoyloxy)propanyl octadeca-9Z,12Z,15Z-trienoatebeta-D-galactopyranosyloxy-2-(octadeca-9Z,1 2Z,1 5Z-trienoyloxy)propanyl octadeca-9Z,12Z,15Z-trienoatebeta-D-galactopyranosyloxy-2-(octadeca-9Z,12Z,15Z-trienoyloxy)propanyl octadeca-9Z,12Z,15Z-trienoate

Database identifiers

Properties

Computed structural propertiesFilling in

XLogP
10
Topological polar surface area
152 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
35
Heavy atoms
55
Formal charge
0
Complexity
1,130

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Related reactions

1 records
New reaction record
HRID 2407350 reaction equation
HRID 2407350As productAs reactantuspto-grants-2014_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
PubChem CID
5282287
ChEMBL
CHEMBL5280649
ChEBI
CHEBI:34042
Nikkaji
J1.616.736C