Streptomonomicin (CHEBI:200727)

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

CHEBI:200727 - Streptomonomicin

ChEBI ID	CHEBI:200727
ChEBI Name	Streptomonomicin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C107H160N22O30
Net Charge	0
Average Mass	2234.581
Monoisotopic Mass	2233.16707
SMILES	CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC
InChI	InChI=1S/C107H160N22O30/c1-16-57(12)86(124-95(146)72-47-82(137)113-75(50-130)96(147)116-67(40-53(4)5)90(141)110-49-84(139)114-76(51-131)97(148)122-77(52-132)106(157)128-38-20-23-79(128)99(150)119-70(43-61-25-31-64(133)32-26-61)92(143)117-71(46-81(108)136)93(144)118-72)101(152)120-68(41-54(6)7)91(142)109-48-83(138)112-73(44-62-27-33-65(134)34-28-62)104(155)127-37-19-22-78(127)98(149)111-60(15)89(140)115-69(42-55(8)9)94(145)125-88(59(14)18-3)103(154)123-85(56(10)11)100(151)126-87(58(13)17-2)102(153)121-74(45-63-29-35-66(135)36-30-63)105(156)129-39-21-24-80(129)107(158)159/h25-36,53-60,67-80,85-88,130-135H,16-24,37-52H2,1-15H3,(H2,108,136)(H,109,142)(H,110,141)(H,111,149)(H,112,138)(H,113,137)(H,114,139)(H,115,140)(H,116,147)(H,117,143)(H,118,144)(H,119,150)(H,120,152)(H,121,153)(H,122,148)(H,123,154)(H,124,146)(H,125,145)(H,126,151)(H,158,159)/t57-,58-,59-,60-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1
InChIKey	ZUTGGQMQIWDJCW-BCPYKWEZSA-N

Species of Metabolite	Component	Source	Comments
Streptomonospora alba (ncbitaxon:183763)	-	PubMed (25601074)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	Streptomonomicin (CHEBI:200727) is a polypeptide (CHEBI:15841)

IUPAC Name
(2S)-1-[(2S)-2-[[(2S,3S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S,3S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[hydroxy-[(2S)-1-[(2S)-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S,3S)-1-hydroxy-2-[[hydroxy-[(3S,6S,12S,15S,19S,22S,25S,28S)-5,8,11,14,17,21,24,27-octahydroxy-22-(2-hydroxy-2-iminoethyl)-3,6,15-tris(hydroxymethyl)-25-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-2-oxo-1,4,7,10,13,16,20,23,26-nonazabicyclo[26.3.0]hentriaconta-4,7,10,13,16,20,23,26-octaen-19-yl]methylidene]amino]-3-methylpentylidene]amino]-4-methylpentylidene]amino]ethylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylidene]amino]propylidene]amino]-4-methylpentylidene]amino]-3-methylpentylidene]amino]-3-methylbutylidene]amino]-3-methylpentylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

IUPAC Name

(2S)-1-[(2S)-2-[[(2S,3S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S,3S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S)-1-hydroxy-2-[[hydroxy-[(2S)-1-[(2S)-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[(2S,3S)-1-hydroxy-2-[[hydroxy-[(3S,6S,12S,15S,19S,22S,25S,28S)-5,8,11,14,17,21,24,27-octahydroxy-22-(2-hydroxy-2-iminoethyl)-3,6,15-tris(hydroxymethyl)-25-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-2-oxo-1,4,7,10,13,16,20,23,26-nonazabicyclo[26.3.0]hentriaconta-4,7,10,13,16,20,23,26-octaen-19-yl]methylidene]amino]-3-methylpentylidene]amino]-4-methylpentylidene]amino]ethylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylidene]amino]propylidene]amino]-4-methylpentylidene]amino]-3-methylpentylidene]amino]-3-methylbutylidene]amino]-3-methylpentylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Manual Xrefs	Databases
78440087	ChemSpider