Protactin (CHEBI:221294)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221294 - Protactin

Take structure to advanced search

ChEBI ID	CHEBI:221294
ChEBI Name	Protactin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H48N6O8
Net Charge	0
Average Mass	644.770
Monoisotopic Mass	644.35336
SMILES	C=C(C)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1N)[C@@H](C)O)C(=O)N1C(C)CC[C@H]1C(=O)N(C)CC(=O)N(C)[C@H](C=O)C(C)C
InChI	InChI=1S/C32H48N6O8/c1-16(2)23(15-39)37(9)24(41)14-36(8)31(45)22-13-11-19(6)38(22)32(46)26(17(3)4)34-30(44)27(20(7)40)35-29(43)21-12-10-18(5)28(42)25(21)33/h10,12,15-16,19-20,22-23,26-27,40,42H,3,11,13-14,33H2,1-2,4-9H3,(H,34,44)(H,35,43)/t19?,20-,22+,23-,26-,27+/m1/s1
InChIKey	XZQTTYYQLUHMIZ-ZEVMZUSBSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (1372309)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Protactin (CHEBI:221294) is a oligopeptide (CHEBI:25676)

IUPAC Name
(2S)-1-[(2R)-2-[[(2S,3R)-2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbut-3-enoyl]-N,5-dimethyl-N-[2-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

Manual Xrefs	Databases
2338929	ChemSpider