Haprolid (CHEBI:219400)

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CHEBI:219400 - Haprolid

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ChEBI ID	CHEBI:219400
ChEBI Name	Haprolid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H58N4O7
Net Charge	0
Average Mass	682.903
Monoisotopic Mass	682.43055
SMILES	CO[C@H](C)CCC[C@@H]1CC/C(C)=C\CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O1
InChI	InChI=1S/C38H58N4O7/c1-26(2)23-33-37(46)42-22-12-17-32(42)38(47)49-30(16-11-13-28(4)48-7)20-18-27(3)19-21-34(43)39-31(24-29-14-9-8-10-15-29)36(45)40(5)25-35(44)41(33)6/h8-10,14-15,19,26,28,30-33H,11-13,16-18,20-25H2,1-7H3,(H,39,43)/b27-19-/t28-,30-,31+,32+,33-/m1/s1
InChIKey	SIERHPRPABJVTC-KOHWWRMWSA-N

Species of Metabolite	Component	Source	Comments
Byssovorax cruenta (ncbitaxon:293647)	-	PubMed (27404448)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Haprolid (CHEBI:219400) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,9S,13Z,17R,20S)-9-benzyl-17-[(4R)-4-methoxypentyl]-4,7,14-trimethyl-3-(2-methylpropyl)-18-oxa-1,4,7,10-tetrazabicyclo[18.3.0]tricos-13-ene-2,5,8,11,19-pentone

Manual Xrefs	Databases
78443347	ChemSpider