(Q106039822)

English

1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(galactosyl-alpha-1-6-galactosyl-beta-1)-glycerol

chemical compound

1-(D-glucopyranosyloxy)-3-hydroxypropan-2-yl 6-deoxy-L-galactopyranoside
1-(D-glucopyranosyloxy)-3-hydroxypropan-2-yl L-fucopyranoside

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

936.581021988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-(6'-O-alpha-D-galactosyl-alpha-D-galactosyl)-sn-glycerol

1 reference

based on heuristic

inferred from InChI

[(2S)-2-octadeca-9,12,15-trienoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from InChI

[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from InChI

1-18:3-2-18:3-Digalactosyldiacylglycerol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₁H₈₄O₁₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46?,47?,48?,49?,50-,51-/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

KDYAPQVYJXUQNY-JTADZIJASA-N

1 reference

stated in

ChEBI release 2021-03-01

PubChem CID

53480666

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

InChIKey

KDYAPQVYJXUQNY-JTADZIJASA-N

ChEBI ID

142243

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40-,41-,44+,45+,46?,47?,48?,49?,50-,51-/m1/s1

1 reference

Human Metabolome Database ID

HMDB0011127

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KDYAPQVYJXUQNY-JTADZIJASA-N

(Q106039822)

1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(galactosyl-alpha-1-6-galactosyl-beta-1)-glycerol

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