Holrhizin G (CHEBI:223778)

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CHEBI:223778 - Holrhizin G

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ChEBI ID	CHEBI:223778
ChEBI Name	Holrhizin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H52N4O8
Net Charge	0
Average Mass	632.799
Monoisotopic Mass	632.37851
SMILES	CCCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
InChI	InChI=1S/C33H52N4O8/c1-6-7-8-9-13-16-27(38)37-29(22(4)5)32(43)35-25(20-23-14-11-10-12-15-23)31(42)34-24(17-18-28(39)40)30(41)36-26(33(44)45)19-21(2)3/h10-12,14-15,21-22,24-26,29H,6-9,13,16-20H2,1-5H3,(H,34,42)(H,35,43)(H,36,41)(H,37,38)(H,39,40)(H,44,45)/t24-,25-,26-,29-/m0/s1
InChIKey	RWFPDXLVEWLFGL-VZTVMPNDSA-N

Species of Metabolite	Component	Source	Comments
Mycetohabitans rhizoxinica (ncbitaxon:412963)	-	PubMed (32031805)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Holrhizin G (CHEBI:223778) is a polypeptide (CHEBI:15841)

IUPAC Name
(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-methylpentanoic acid