Sandarazol C (CHEBI:221949)

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CHEBI:221949 - Sandarazol C

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ChEBI ID	CHEBI:221949
ChEBI Name	Sandarazol C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H47ClN4O6
Net Charge	0
Average Mass	583.170
Monoisotopic Mass	582.31841
SMILES	CC(C)=CC(=O)[C@@H]1O[C@@H]1/C=C/CC(=O)N[C@H](CN(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)C(C)Cl)C(C)C
InChI	InChI=1S/C29H47ClN4O6/c1-16(2)13-20(26(37)19(7)30)32-29(39)25(18(5)6)33-28(38)21(15-34(8)9)31-24(36)12-10-11-23-27(40-23)22(35)14-17(3)4/h10-11,14,16,18-21,23,25,27H,12-13,15H2,1-9H3,(H,31,36)(H,32,39)(H,33,38)/b11-10+/t19?,20-,21+,23+,25-,27-/m0/s1
InChIKey	MPRXTWVPYGPZSF-LVHWZTDZSA-N

Species of Metabolite	Component	Source	Comments
Sandaracinus (ncbitaxon:1055688)	-	PubMed (33534143)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Sandarazol C (CHEBI:221949) is a dipeptide (CHEBI:46761)