Goadsporin (CHEBI:227568)

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CHEBI:227568 - Goadsporin

ChEBI ID	CHEBI:227568
ChEBI Name	Goadsporin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C72H97N19O20S2
Net Charge	0
Average Mass	1612.815
Monoisotopic Mass	1611.65987
SMILES	C=C(NC(=O)[C@H](CC(C)C)NC(=O)c1nc(CNC(=O)CNC(=O)[C@H](CO)NC(=O)c2csc([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c3nc(C(=C)NC(=O)[C@@H](NC(=O)c4nc([C@H](C)NC(C)=O)oc4C)C(C)C)oc3C)[C@@H](C)CC)n2)oc1C)c1nc(C(=O)N[C@@H](C)C(=O)NCc2nc(C(=O)N[C@H](C(=O)O)C(C)C)cs2)co1
InChI	InChI=1S/C72H97N19O20S2/c1-19-33(10)53(89-67(105)56-40(17)111-70(91-56)37(14)79-63(101)51(31(6)7)87-66(104)55-39(16)110-69(90-55)36(13)76-41(18)93)64(102)82-43(21-30(4)5)71-85-47(28-113-71)61(99)83-44(25-92)58(96)74-22-48(94)73-23-49-86-54(38(15)109-49)65(103)81-42(20-29(2)3)59(97)78-35(12)68-84-45(26-108-68)60(98)77-34(11)57(95)75-24-50-80-46(27-112-50)62(100)88-52(32(8)9)72(106)107/h26-34,36,42-44,51-53,92H,12,14,19-25H2,1-11,13,15-18H3,(H,73,94)(H,74,96)(H,75,95)(H,76,93)(H,77,98)(H,78,97)(H,79,101)(H,81,103)(H,82,102)(H,83,99)(H,87,104)(H,88,100)(H,89,105)(H,106,107)/t33-,34-,36-,42-,43-,44-,51-,52-,53-/m0/s1
InChIKey	JYUWJUDWHAUBBT-SQDQPZCFSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies TP-A0584 (ncbitaxon:314563)	-	PubMed (11858659)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Goadsporin (CHEBI:227568) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[2-[[[(2S)-2-[[2-[1-[[(2S)-2-[[2-[[[2-[[(2S)-2-[[2-[(1S)-1-[[(2S,3S)-2-[[2-[1-[[(2S)-2-[[2-[(1S)-1-acetamidoethyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoyl]amino]ethenyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutyl]-1,3-thiazole-4-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]methyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-4-methylpentanoyl]amino]ethenyl]-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid

IUPAC Name

(2S)-2-[[2-[[[(2S)-2-[[2-[1-[[(2S)-2-[[2-[[[2-[[(2S)-2-[[2-[(1S)-1-[[(2S,3S)-2-[[2-[1-[[(2S)-2-[[2-[(1S)-1-acetamidoethyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoyl]amino]ethenyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutyl]-1,3-thiazole-4-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]methyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-4-methylpentanoyl]amino]ethenyl]-1,3-oxazole-4-carbonyl]amino]propanoyl]amino]methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid

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