Chrondamide 12D (CHEBI:220449)

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CHEBI:220449 - Chrondamide 12D

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ChEBI ID	CHEBI:220449
ChEBI Name	Chrondamide 12D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H46N4O6
Net Charge	0
Average Mass	630.786
Monoisotopic Mass	630.34174
SMILES	CC[C@H]1OC(=O)CC(c2ccc(O)cc2)NC(=O)[C@@H](Cc2cnc3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C\[C@@H]1C
InChI	InChI=1S/C36H46N4O6/c1-7-32-22(3)16-21(2)17-23(4)34(43)38-24(5)36(45)40(6)31(18-26-20-37-29-11-9-8-10-28(26)29)35(44)39-30(19-33(42)46-32)25-12-14-27(41)15-13-25/h8-16,20,22-24,30-32,37,41H,7,17-19H2,1-6H3,(H,38,43)(H,39,44)/b21-16-/t22-,23-,24-,30?,31+,32+/m0/s1
InChIKey	BKPURKGQNCWTQZ-FRLYFJJMSA-N

Species of Metabolite	Component	Source	Comments
Chondromyces (ncbitaxon:50)	-	PubMed (23959765)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Chrondamide 12D (CHEBI:220449) is a peptide (CHEBI:16670)

IUPAC Name
(7R,10S,13S,15Z,17S,18R)-18-ethyl-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17-pentamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

Manual Xrefs	Databases
78442724	ChemSpider