Largamide H (CHEBI:201285)

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CHEBI:201285 - Largamide H

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ChEBI ID	CHEBI:201285
ChEBI Name	Largamide H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C57H90N12O16
Net Charge	0
Average Mass	1199.415
Monoisotopic Mass	1198.65977
SMILES	C/C=C1\NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCc2ccc(OC)cc2)NC(=O)[C@H](C(C)C)NC(=O)/C(=C\C)NC(=O)[C@H](O)[C@@H](C[C@@H](O)CCCCCCC)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](CCC(N)=O)NC1=O
InChI	InChI=1S/C57H90N12O16/c1-11-14-15-16-17-20-35(71)28-41-48(75)55(82)62-38(13-3)51(78)66-46(31(4)5)54(81)63-39(21-18-19-34-22-24-36(85-10)25-23-34)52(79)67-47(33(7)70)57(84)69(9)42(29-44(59)73)53(80)61-37(12-2)50(77)64-40(26-27-43(58)72)56(83)68(8)30-45(74)60-32(6)49(76)65-41/h12-13,22-25,31-33,35,39-42,46-48,70-71,75H,11,14-21,26-30H2,1-10H3,(H2,58,72)(H2,59,73)(H,60,74)(H,61,80)(H,62,82)(H,63,81)(H,64,77)(H,65,76)(H,66,78)(H,67,79)/b37-12-,38-13+/t32-,33+,35-,39-,40-,41+,42-,46-,47-,48+/m0/s1
InChIKey	YRCPTMBCIKDNMH-XLNWVFMZSA-N

Species of Metabolite	Component	Source	Comments
Oscillatoriaspecies (ncbitaxon:1159)	-	PubMed (16930043)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Largamide H (CHEBI:201285) is a oligopeptide (CHEBI:25676)

IUPAC Name
3-[(3S,9S,12Z,15S,18S,21S,24S,27E,30R,31R)-15-(2-amino-2-oxoethyl)-12,27-di(ethylidene)-30-hydroxy-18-[(1R)-1-hydroxyethyl]-31-[(2S)-2-hydroxynonyl]-21-[3-(4-methoxyphenyl)propyl]-3,7,16-trimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-9-yl]propanamide

Manual Xrefs	Databases
17242215	ChemSpider