(Q76296236)

English

N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

chemical compound

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instance of

type of chemical entity

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subclass of

beta-D-Galp-(1->3)-D-GlcpNAc

1 reference

based on heuristic

inferred from SMILES

mass

383.14276061999993 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

D-Galp-(1->3)-D-GalpNAc

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

beta-D-Glcp-(1->3)-alpha-D-GlcpNAc

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

alpha-D-Galp-(1->3)-beta-D-GalpNAc

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

alpha-D-Galp-(1->3)-alpha-D-GlcpNAc

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

beta-D-Glcp-(1->3)-D-GlcpNAc

1 reference

based on heuristic

inferred from InChI

beta-L-Galp-(1->3)-beta-D-GlcpNAc

1 reference

based on heuristic

inferred from InChI

beta-D-Galp-(1->3)-beta-D-GalpNAc

1 reference

based on heuristic

inferred from InChI

alpha-D-Manp-(1->3)-D-GlcpNAc

1 reference

based on heuristic

inferred from InChI

beta-D-Galp-(1->3)-beta-D-GlcpNAc

1 reference

based on heuristic

inferred from InChI

alpha-D-Galp-(1->3)-beta-D-GlcpNAc

1 reference

based on heuristic

inferred from InChI

alpha-D-Glcp-(1->3)-alpha-D-GalpNAc

1 reference

based on heuristic

inferred from InChI

alpha-D-Manp-(1->3)-alpha-D-GlcpNAc

1 reference

based on heuristic

inferred from InChI

beta-D-Gal-(1->3-)-alpha-D-GalNAc

1 reference

based on heuristic

inferred from InChI

beta-D-Glcp-(1->3)-alpha-D-GalpNAc

1 reference

based on heuristic

inferred from InChI

alpha-D-Galp-(1->3)-alpha-D-GalpNAc

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based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₅NO₁₁

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canonical SMILES

CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

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Identifiers

InChI

InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1

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InChIKey

HMQPEDMEOBLSQB-RCBHQUQDSA-N

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PubChem CID

5288905

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matched by identifier from

InChIKey

HMQPEDMEOBLSQB-RCBHQUQDSA-N

ChEBI ID

145593

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1

SureChEMBL ID

SCHEMBL5518959

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HMQPEDMEOBLSQB-RCBHQUQDSA-N

1 reference

Human Metabolome Database ID

HMDB0006575

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HMQPEDMEOBLSQB-RCBHQUQDSA-N

(Q76296236)

N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

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