Ulongamide B (CHEBI:199129)

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CHEBI:199129 - Ulongamide B

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ChEBI ID	CHEBI:199129
ChEBI Name	Ulongamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H45N5O7S
Net Charge	0
Average Mass	643.807
Monoisotopic Mass	643.30397
SMILES	CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc2ccc(O)cc2)N(C)C(=O)[C@H](C)OC(=O)[C@@H]1C
InChI	InChI=1S/C32H45N5O7S/c1-9-10-23-18(4)32(43)44-20(6)30(41)36(7)25(15-21-11-13-22(38)14-12-21)31(42)37(8)26(17(2)3)28(40)33-19(5)29-35-24(16-45-29)27(39)34-23/h11-14,16-20,23,25-26,38H,9-10,15H2,1-8H3,(H,33,40)(H,34,39)/t18-,19+,20+,23-,25?,26+/m1/s1
InChIKey	GGYQVLOCMGQKAQ-RJKFGBTCSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya (ncbitaxon:28073)	-	PubMed (12141859)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ulongamide B (CHEBI:199129) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S,5S,11S,14R,15R)-8-[(4-hydroxyphenyl)methyl]-2,6,9,11,14-pentamethyl-5-propan-2-yl-15-propyl-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
78439595	ChemSpider