SCH 40832 (CHEBI:209792)

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CHEBI:209792 - SCH 40832

ChEBI ID	CHEBI:209792
ChEBI Name	SCH 40832
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C84H104N18O26S5
Net Charge	0
Average Mass	1942.191
Monoisotopic Mass	1940.59727
SMILES	C=C1NC(=O)C(=C)NC(=O)C(C(C)OC2CC(OC3CC(O)C(O)C(C)O3)C(O)C(C)O2)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(C(C)(O)CC)NC(=O)C3CSC(=N3)/C(=C/C)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC4C(SC)=NC(CO)(C(=O)NC(=C)C(=O)NC(=C)C(=O)OC)N4C3c3csc2n3)NC(=O)C(=C)NC1=O
InChI	InChI=1S/C84H104N18O26S5/c1-17-44-74-94-49(27-130-74)71(116)99-63(82(14,122)18-2)77-95-48(28-132-77)69(114)98-58-39(11)127-79(120)46-23-43(36(8)104)42-19-20-45(62(109)59(42)91-46)90-57(38(10)124-55-25-53(61(108)41(13)126-55)128-54-24-52(106)60(107)40(12)125-54)73(118)87-32(4)66(111)85-31(3)65(110)86-34(6)68(113)100-83(81-96-50(29-133-81)70(115)97-56(37(9)105)72(117)92-44)22-21-51-75(129-16)101-84(30-103,102(51)64(83)47-26-131-76(58)93-47)80(121)89-33(5)67(112)88-35(7)78(119)123-15/h17,19-20,23,26,28-29,36-41,45,49,51-58,60-64,90,103-109,122H,3-7,18,21-22,24-25,27,30H2,1-2,8-16H3,(H,85,111)(H,86,110)(H,87,118)(H,88,112)(H,89,121)(H,92,117)(H,97,115)(H,98,114)(H,99,116)(H,100,113)/b44-17-
InChIKey	VRYFRHOXPARBLS-CATFIOGKSA-N

Species of Metabolite	Component	Source	Comments
Micromonospora carbonacea (ncbitaxon:47853)	-	PubMed (9544944)

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	SCH 40832 (CHEBI:209792) is a oligopeptide (CHEBI:25676)

IUPAC Name
methyl 2-[2-[[(11Z)-37-[1-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxyethyl]-11-ethylidene-62-hydroxy-18-(2-hydroxybutan-2-yl)-8,31-bis(1-hydroxyethyl)-54-(hydroxymethyl)-26-methyl-40,43,46-trimethylidene-52-methylsulanyl-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,59-tetrathia-7,10,17,24,36,39,42,45,48,53,55,61,64,65,66,67-hexadecazadecacyclo[23.23.12.329,35.12,5.112,15.119,22.157,60.01,56.051,55.032,63]heptahexaconta-2(67),4,12(66),19(65),21,29(64),30,32(63),33,52,57,60-dodecaene-54-carbonyl]amino]prop-2-enoylamino]prop-2-enoate

IUPAC Name

methyl 2-[2-[[(11Z)-37-[1-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxyethyl]-11-ethylidene-62-hydroxy-18-(2-hydroxybutan-2-yl)-8,31-bis(1-hydroxyethyl)-54-(hydroxymethyl)-26-methyl-40,43,46-trimethylidene-52-methylsulanyl-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,59-tetrathia-7,10,17,24,36,39,42,45,48,53,55,61,64,65,66,67-hexadecazadecacyclo[23.23.12.329,35.12,5.112,15.119,22.157,60.01,56.051,55.032,63]heptahexaconta-2(67),4,12(66),19(65),21,29(64),30,32(63),33,52,57,60-dodecaene-54-carbonyl]amino]prop-2-enoylamino]prop-2-enoate

Manual Xrefs	Databases
78444506	ChemSpider