Guineamide A (CHEBI:197697)

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CHEBI:197697 - Guineamide A

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ChEBI ID	CHEBI:197697
ChEBI Name	Guineamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H43N5O6S
Net Charge	0
Average Mass	613.781
Monoisotopic Mass	613.29341
SMILES	CC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
InChI	InChI=1S/C31H43N5O6S/c1-9-22-18(4)31(41)42-20(6)29(39)36(8)25(17(2)3)30(40)35(7)24(15-21-13-11-10-12-14-21)27(38)32-19(5)28-34-23(16-43-28)26(37)33-22/h10-14,16-20,22,24-25H,9,15H2,1-8H3,(H,32,38)(H,33,37)/t18-,19-,20-,22+,24-,25-/m0/s1
InChIKey	GPTJWGYTFCSLIR-CMDJPLBESA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (12828459)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Guineamide A (CHEBI:197697) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S,5S,8S,11S,14S,15R)-5-benzyl-15-ethyl-2,6,9,11,14-pentamethyl-8-propan-2-yl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone

Manual Xrefs	Databases
9040310	ChemSpider