LIPID MAPS

Structure Database (LMSD)

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Common Name

25-hydroxyvitamin D2 25-(beta-glucuronide)

Systematic Name

(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraene-3,25-diol 25-D-glucuronide

Synonyms

25 hydroxyergocalciferol 25-(beta-glucuronide)

LM ID

LMST05010021

Formula

C₃₄H₅₂O₈

Exact Mass

Calculate m/z

588.366221

Sum Composition

ST 28:3;O2;GlcA

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Gallus gallus (#9031)

Aves (#8782)

Isolation and identification of 25-hydroxyvitamin D2 25-glucuronide: a biliary metabolite of vitamin D2 in the chick.,
Biochemistry, 1981

Pubmed ID: 6970592

DOI: 10.1021/bi00504a037

String Representations

InChiKey (Click to copy)

MWEHQOJAQKGFMP-LPWBXTEISA-N

InChi (Click to copy)

InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,27+,28+,29-,30+,32+,34-/m1/s1

SMILES (Click to copy)

C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])/C=C/[C@H](C)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1