Halolitoralin A (CHEBI:207984)

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CHEBI:207984 - Halolitoralin A

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ChEBI ID	CHEBI:207984
ChEBI Name	Halolitoralin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H48N6O6
Net Charge	0
Average Mass	552.717
Monoisotopic Mass	552.36353
SMILES	CCC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O
InChI	InChI=1S/C27H48N6O6/c1-10-15(6)21-27(39)30-17(8)23(35)32-19(11-13(2)3)25(37)28-16(7)22(34)31-20(12-14(4)5)26(38)29-18(9)24(36)33-21/h13-21H,10-12H2,1-9H3,(H,28,37)(H,29,38)(H,30,39)(H,31,34)(H,32,35)(H,33,36)/t15?,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey	SXVHYPUSAGNSMU-HXZOEFROSA-N

Species of Metabolite	Component	Source	Comments
Halobacillus (ncbitaxon:45667)	-	DOI (10.1016/s0040-4039(02)01458-2)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Halolitoralin A (CHEBI:207984) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3S,6S,9S,12S,15S,18S)-3-butan-2-yl-6,12,18-trimethyl-9,15-bis(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78441474	ChemSpider