(Q105205252)

English

(2S,3S,4R,8E)-2-[[(R)-2-Hydroxypentacosanoyl]amino]-8-octadecene-1,3,4-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-hydroxy-N-(1,3,4-trihydroxyoctadec-8-en-2-yl)pentacosanamide

1 reference

based on heuristic

inferred from SMILES

mass

695.64277482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₈₅NO₅

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canonical SMILES

CCCCCCCCCC=CCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC

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found in taxon

Gynura japonica

1 reference

stated in

Cerebrosides from the Rhizomes ofGynura Japonica

Identifiers

InChI

InChI=1S/C43H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h28,30,39-42,45-48H,3-27,29,31-38H2,1-2H3,(H,44,49)/b30-28+/t39-,40+,41+,42-/m0/s1

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InChIKey

PBLGRAOOBKNRGK-DBXSAKGXSA-N

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CAS Registry Number

295803-05-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBLGRAOOBKNRGK-DBXSAKGXSA-N

1 reference

1 reference

matched by identifier from

InChIKey

PBLGRAOOBKNRGK-DBXSAKGXSA-N

(Q105205252)

(2S,3S,4R,8E)-2-[[(R)-2-Hydroxypentacosanoyl]amino]-8-octadecene-1,3,4-triol

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Identifiers

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