a peptidoglycan with D,D cross-links (meso-diaminopimelate containing)

a peptidoglycan with D,D cross-links (<I>meso</I>-diaminopimelate containing)




Chemical Formula:
C267H421N31O96P4
Molecular Weight:
5725.308 Daltons
Monoisotopic Mass:
5736.9138579184 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC8(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC7(OC(CO)C(OC6(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C(=O)[O-])CCCC(C(NC(C)C(=O)NC(C)C([O-])=O)=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)OP(OP(OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C)([O-])=O)([O-])=O))=O)C(OC5(OC(CO)C(O)C(O)C(NC(=O)C)5))C(CO)O6))C(O)C(NC(=O)C)7))C(CO)O8))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C267H433N31O96P4/c1-140(2)72-48-74-142(5)76-50-78-144(7)80-52-82-146(9)84-54-86-148(11)88-56-90-150(13)92-58-94-152(15)96-60-98-154(17)100-62-102-156(19)104-64-106-158(21)108-66-110-160(23)128-130-371-395(363,364)393-397(367,368)391-266-215(288-183(46)313)231(375-175(38)243(335)273-167(30)238(330)297-194(257(357)358)121-125-206(316)291-189(116-69-113-186(269)253(349)350)246(338)276-163(26)234(326)280-171(34)250(343)344)227(203(138-305)383-266)389-262-211(284-179(42)309)221(323)223(199(134-301)379-262)386-265-214(287-182(45)312)230(226(202(137-304)382-265)388-261-210(283-178(41)308)220(322)218(320)198(133-300)378-261)374-174(37)242(334)272-166(29)237(329)296-195(258(359)360)122-126-207(317)292-190(117-70-114-187(270)254(351)352)247(339)278-169(32)240(332)294-192(255(353)354)119-71-118-191(248(340)277-164(27)235(327)281-172(35)251(345)346)293-208(318)127-123-196(259(361)362)298-239(331)168(31)274-244(336)176(39)376-232-216(289-184(47)314)267(392-398(369,370)394-396(365,366)372-131-129-161(24)111-67-109-159(22)107-65-105-157(20)103-63-101-155(18)99-61-97-153(16)95-59-93-151(14)91-57-89-149(12)87-55-85-147(10)83-53-81-145(8)79-51-77-143(6)75-49-73-141(3)4)384-204(139-306)228(232)390-263-212(285-180(43)310)222(324)224(200(135-302)380-263)385-264-213(286-181(44)311)229(225(201(136-303)381-264)387-260-209(282-177(40)307)219(321)217(319)197(132-299)377-260)373-173(36)241(333)271-165(28)236(328)295-193(256(355)356)120-124-205(315)290-188(115-68-112-185(268)252(347)348)245(337)275-162(25)233(325)279-170(33)249(341)342/h72-73,76-77,80-81,84-85,88-89,92-93,96-97,100-101,104-105,108-109,128-129,162-176,185-204,209-232,260-267,299-306,319-324H,48-71,74-75,78-79,82-83,86-87,90-91,94-95,98-99,102-103,106-107,110-127,130-139,268-270H2,1-47H3,(H,271,333)(H,272,334)(H,273,335)(H,274,336)(H,275,337)(H,276,338)(H,277,340)(H,278,339)(H,279,325)(H,280,326)(H,281,327)(H,282,307)(H,283,308)(H,284,309)(H,285,310)(H,286,311)(H,287,312)(H,288,313)(H,289,314)(H,290,315)(H,291,316)(H,292,317)(H,293,318)(H,294,332)(H,295,328)(H,296,329)(H,297,330)(H,298,331)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)/p-12/b142-76+,143-77+,144-80+,145-81+,146-84-,147-85+,148-88-,149-89-,150-92-,151-93-,152-96-,153-97-,154-100-,155-101-,156-104-,157-105-,158-108-,159-109-,160-128-,161-129-/t162-,163-,164-,165+,166+,167+,168+,169-,170-,171-,172-,173-,174-,175-,176-,185-,186-,187-,188+,189+,190+,191+,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,260-,261+,262+,263+,264-,265-,266-,267-/m1/s1
InChIKey:
DTMSLMOHTHSZJF-NBEMDSPVSA-B

Databases
MetaCyc:  CPD-12261
PubChem (CID):  90657238
Seed:  cpd23318
MetaNetX:  MNXM15411