KM-043

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H76O12S
Molecular Weight	841.143
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC

InChI

InChIKey=IIDPUWZBYVLQEU-QPUINQHXSA-N

InChI=1S/C45H76O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,38-39,42-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-37H2,1-2H3,(H,51,52,53)/b7-5+,13-11+,18-17+,22-20+,27-25+/t38-,39-,42-,43+,44-,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H76O12S
Molecular Weight	841.143
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:49:20 GMT 2025` Edited by `admin` on `Mon Mar 31 21:49:20 GMT 2025`
Record UNII	CVV2LM2MRQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-D-GLUCOPYRANOSIDE, (2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAEN-1-YL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-

Preferred Name

English

KM-043

Code

English

(2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAEN-1-YL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-.ALPHA.-D-GLUCOPYRANOSIDE

Systematic Name

English

KM043

Code

English

((2S,3S,4S,5R,6S)-6-(2-HEXADECANOYLOXY-3-((5E,8E,11E,14E,17E)-ICOSA-5,8,11,14,17-PENTAENOYL)OXYPROPOXY)-3,4,5-TRIHYDROXYOXAN-2-YL)METHANESULFONIC ACID

Systematic Name

English

.ALPHA.-D-GLUCOPYRANOSIDE, (2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAENYL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30174884

Created by admin on Mon Mar 31 21:49:20 GMT 2025 , Edited by admin on Mon Mar 31 21:49:20 GMT 2025

PRIMARY

CAS

207976-87-2

Created by admin on Mon Mar 31 21:49:20 GMT 2025 , Edited by admin on Mon Mar 31 21:49:20 GMT 2025

PRIMARY

FDA UNII

CVV2LM2MRQ

Created by admin on Mon Mar 31 21:49:20 GMT 2025 , Edited by admin on Mon Mar 31 21:49:20 GMT 2025

PRIMARY

PUBCHEM

56842030

Created by admin on Mon Mar 31 21:49:20 GMT 2025 , Edited by admin on Mon Mar 31 21:49:20 GMT 2025

PRIMARY

Related Record Type Details


					CVV2LM2MRQ

KM-043

ACTIVE MOIETY