[D-Asp3,Dhb7]MC-RY (CHEBI:221024)

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CHEBI:221024 - [D-Asp3,Dhb7]MC-RY

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ChEBI ID	CHEBI:221024
ChEBI Name	[D-Asp3,Dhb7]MC-RY
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C51H70N10O13
Net Charge	0
Average Mass	1031.178
Monoisotopic Mass	1030.51238
SMILES	CC=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC1=O
InChI	InChI=1S/C51H70N10O13/c1-7-35-46(67)55-31(5)45(66)59-37(14-11-23-54-51(52)53)47(68)61-40(50(72)73)27-43(64)57-39(25-33-16-18-34(62)19-17-33)48(69)58-36(30(4)44(65)60-38(49(70)71)21-22-42(63)56-35)20-15-28(2)24-29(3)41(74-6)26-32-12-9-8-10-13-32/h7-10,12-13,15-20,24,29-31,36-41,62H,11,14,21-23,25-27H2,1-6H3,(H,55,67)(H,56,63)(H,57,64)(H,58,69)(H,59,66)(H,60,65)(H,61,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+,35-7?/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
InChIKey	VLFZRTCMEIPKAG-DWHNULMMSA-N

Species of Metabolite	Component	Source	Comments
Planktothrix (ncbitaxon:54304)	-	PubMed (23531156)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	[D-Asp3,Dhb7]MC-RY (CHEBI:221024) is a peptide (CHEBI:16670)

IUPAC Name
(5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-2-ethylidene-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid