MICROCYSTIN RR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H75N13O12
Molecular Weight	1038.1997
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](CC1=CC=CC=C1)[C@@H](C)\C=C(C)\C=C\[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(O)=O)C(O)=O

InChI

InChIKey=JIGDOBKZMULDHS-UUHBQKJESA-N

InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H75N13O12
Molecular Weight	1038.1997
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Identification of temporal differentially expressed protein responses to microcystin in human amniotic epithelial cells.	2009 Jan	19111056
The apoptotic effect of oral administration of microcystin-RR on mice liver.	2011 Oct	20196164

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:58:45 GMT 2023` Edited by `admin` on `Sat Dec 16 09:58:45 GMT 2023`
Record UNII	CZ021GH33H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MICROCYSTIN RR

Common Name

English

CYANOGINOSIN LA, 3-L-ARGINYL-5-L-ARGININE

Common Name

English

MICROCYSTIN LA, 3-L-ARGININE-5-L-ARGININE-

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-ARGINYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-4,6-DECADIENOYL-D-.GAMMA.-GLUTAMYL)

Common Name

English

MICROCYSTIN-RR

Common Name

English

CYANOGINOSIN RR

Common Name

English

CYANOGINOSIN LA, 3-ARGINYL-5-ARGININE-

Common Name

English

MICROCYSTINRR

Common Name

English

CYCLO(D-ALA-L-ARG-((3S)-3-METHYL-D-BETAASP-)-L-ARG-((2S,3S)-2-METHYL-3-((1E,3E,5S,6S)-3,5-DIMETHYL-6-METHOXY-7-PHENYL-1,3-HEPTADIENE-1-YL)-BETAALA-)-D-GAMMAGLU-N-METHYL-DHA-)

Common Name

English

C19995

Code

English

CYANOVIRIDIN RR

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-ARGINYL-ERYTHRO-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-3-AMINODECANOYL-D-.GAMMA.-GLUTAMYL)

Common Name

English

Code System Code Type Description

FDA UNII

CZ021GH33H

Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023

PRIMARY

PUBCHEM

6438357

Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID40880085

Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023

PRIMARY

CAS

111755-37-4

Created by admin on Sat Dec 16 09:58:45 GMT 2023 , Edited by admin on Sat Dec 16 09:58:45 GMT 2023

PRIMARY

Related Record Type Details


					9K7IG15M0Q

ARTHROSPIRA MAXIMA

PARENT -> IMPURITY

Comments:

Unit: ng/g (LC-MS); Concentrations of microcystins in 36 Spirulina samples collected in China.

Interaction Type:

ASSAY (HPLC)

Qualification:

Batch Data

Amount: