Holrhizin Q (CHEBI:223757)

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CHEBI:223757 - Holrhizin Q

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ChEBI ID	CHEBI:223757
ChEBI Name	Holrhizin Q
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](C(=O)O)[C@@H](C)CC)C(C)C
InChI	InChI=1S/C33H52N4O8/c1-6-8-9-10-14-17-26(38)36-28(21(3)4)32(43)35-25(20-23-15-12-11-13-16-23)31(42)34-24(18-19-27(39)40)30(41)37-29(33(44)45)22(5)7-2/h11-13,15-16,21-22,24-25,28-29H,6-10,14,17-20H2,1-5H3,(H,34,42)(H,35,43)(H,36,38)(H,37,41)(H,39,40)(H,44,45)/t22-,24-,25-,28-,29-/m0/s1
InChIKey	ODADWRJZAQLGLJ-WLBUNQKXSA-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 Q (CHEBI:223757) is a polypeptide (CHEBI:15841)

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