Micropeptin 103 (CHEBI:214023)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214023 - Micropeptin 103

Take structure to advanced search

ChEBI ID	CHEBI:214023
ChEBI Name	Micropeptin 103
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C52H72N10O13
Net Charge	0
Average Mass	1045.205
Monoisotopic Mass	1044.52803
SMILES	CCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2cnc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@@H](C)O
InChI	InChI=1S/C52H72N10O13/c1-7-8-10-19-40(65)55-27-41(66)58-44(29(4)63)48(70)60-45-30(5)75-52(74)43(28(2)3)59-47(69)37(25-32-26-54-34-18-14-13-17-33(32)34)61(6)51(73)38(24-31-15-11-9-12-16-31)62-42(67)23-21-36(50(62)72)57-46(68)35(56-49(45)71)20-22-39(53)64/h9,11-18,26,28-30,35-38,42-45,54,63,67H,7-8,10,19-25,27H2,1-6H3,(H2,53,64)(H,55,65)(H,56,71)(H,57,68)(H,58,66)(H,59,69)(H,60,70)/t29-,30-,35+,36+,37+,38+,42-,43+,44+,45+/m1/s1
InChIKey	VREBHIIBSKFJFH-OFPFXQEYSA-N

Species of Metabolite	Component	Source	Comments
Microcystis viridis NIES-103 (ncbitaxon:316237)	-	DOI (10.1016/s0040-4039(97)00528-5)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Micropeptin 103 (CHEBI:214023) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[2-[[(2S,3R)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide

Manual Xrefs	Databases
8616524	ChemSpider