Kohamamide B (CHEBI:207901)

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CHEBI:207901 - Kohamamide B

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ChEBI ID	CHEBI:207901
ChEBI Name	Kohamamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H69N5O9
Net Charge	0
Average Mass	776.029
Monoisotopic Mass	775.50953
SMILES	C=CCCC[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChI	InChI=1S/C41H69N5O9/c1-14-16-17-20-30-41(11,12)40(53)44-31(24(5)6)36(49)45(13)32(25(7)8)39(52)55-33(26(9)15-2)37(50)46-21-18-19-29(46)35(48)43-28(22-23(3)4)34(47)42-27(10)38(51)54-30/h14,23-33H,1,15-22H2,2-13H3,(H,42,47)(H,43,48)(H,44,53)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey	HZXADFFZXXFRJU-DKTXOJPGSA-N

Species of Metabolite	Component	Source	Comments
Okeania (ncbitaxon:1458928)	-	PubMed (28541699)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Kohamamide B (CHEBI:207901) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9S,13S,16S,19S,22S)-3-[(2S)-butan-2-yl]-7,12,12,16-tetramethyl-19-(2-methylpropyl)-13-pent-4-enyl-6,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone

Manual Xrefs	Databases
61708711	ChemSpider