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
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: