Halolitoralin B (CHEBI:198143)

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CHEBI:198143 - Halolitoralin B

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ChEBI ID	CHEBI:198143
ChEBI Name	Halolitoralin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H42N4O4
Net Charge	0
Average Mass	438.613
Monoisotopic Mass	438.32061
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O
InChI	InChI=1S/C23H42N4O4/c1-9-15(8)19-23(31)25-16(10-12(2)3)20(28)26-18(14(6)7)22(30)24-17(11-13(4)5)21(29)27-19/h12-19H,9-11H2,1-8H3,(H,24,30)(H,25,31)(H,26,28)(H,27,29)/t15-,16-,17-,18-,19-/m0/s1
InChIKey	AKSOODVGSHGQHA-VMXHOPILSA-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 B (CHEBI:198143) is a oligopeptide (CHEBI:25676)

IUPAC Name
(3S,6S,9S,12S)-3-[(2S)-butan-2-yl]-6,12-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Manual Xrefs	Databases
78440710	ChemSpider